High Impact Publications

From 2008 to the end of 2014, TYC members published thousands of papers in a broad range of scientific journals.  Around 300 of these were in  journals with an impact factor > 8, including Science, Nature Group publications, Physical Review Letters, Journal of the American Chemical Society, ACS Nano, Advanced Materials, Nano Letters, PNAS and Angewandte Chemie International Edition, amongst others. 

A selected list of TYC members' high impact publications from 2008 - 2015 taken from Web of Science:

NB: If TYC members note any missing papers, please email tyc-administrator@ucl.ac.uk to add these.


 2015 (up until November)

Badro, J., J. P. Brodholt, et al. (2015). "Core formation and core composition from coupled geochemical and geophysical constraints." Proceedings of the National Academy of Sciences of the United States of America 112(40): 12310-12314.          

Beedle, A. E. M., A. Lezamiz, et al. (2015). "The mechanochemistry of copper reports on the directionality of unfolding in model cupredoxin proteins." Nature Communications 6.

Bestembayeva, A., A. Kramer, et al. (2015). "Nanoscale stiffness topography reveals structure and mechanics of the transport barrier in intact nuclear pore complexes." Nature Nanotechnology 10(1): 60-64.

Bhaseen, M. J., B. Doyon, et al. (2015). "Energy flow in quantum critical systems far from equilibrium." Nature Physics 11(6): 509-514.           

Blunt, N. S., A. Alavi, et al. (2015). "Krylov-Projected Quantum Monte Carlo Method." Physical Review Letters 115(5).           

Bristowe, N. C., J. Varignon, et al. (2015). "Ferromagnetism induced by entangled charge and orbital orderings in ferroelectric titanate perovskites." Nature Communications 6.    

Buckeridge, J., C. R. A. Catlow, et al. (2015). "Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals." Physical Review Letters 114(1).           

Calvaresi, M., S. Furini, et al. (2015). "Blocking the Passage: C-60 Geometrically Clogs K+ Channels." Acs Nano 9(5): 4827-4834.           

Corsini, N. R. C., Y. Zhang, et al. (2015). "Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles." Nano letters 15(11): 7334-7340.           

Crick, C. R., P. Albella, et al. (2015). "Precise Attoliter Temperature Control of Nanopore Sensors Using a Nanoplasmonic Bullseye." Nano Letters 15(1): 553-559.           

Davies, C., M. Pozzo, et al. (2015). "Constraints from material properties on the dynamics and evolution of Earth's core." Nature Geoscience 8(9): 678-+.        

Dickson, W., S. Beckett, et al. (2015). "Hyperbolic Polaritonic Crystals Based on Nanostructured Nanorod Metamaterials." Advanced Materials 27(39): 5974-5980.           

Dimitrov, S. D., S. Wheeler, et al. (2015). "Polaron pair mediated triplet generation in polymer/fullerene blends." Nature Communications 6.           

Drummond, N. D., B. Monserrat, et al. (2015). "Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures." Nature Communications 6.           

El-Sayed, A.-M., M. B. Watkins, et al. (2015). "Hydrogen-Induced Rupture of Strained Si-O Bonds in Amorphous Silicon Dioxide." Physical Review Letters 114(11).          

Errea, I., M. Calandra, et al. (2015). "High-Pressure Hydrogen Sulfide from First Principles: A Strongly Anharmonic Phonon-Mediated Superconductor." Physical Review Letters 114(15).           

Feng, Z., S. Velari, et al. (2015). "Trapping of Charged Gold Adatoms by Dimethyl Sulfoxide on a Gold Surface." Acs Nano 9(9): 8697-8709.           

Fitzner, M., G. C. Sosso, et al. (2015). "The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity." Journal of the American Chemical Society 137(42): 13658-13669.           

Gadipelli, S., H. A. Patel, et al. (2015). "An Ultrahigh Pore Volume Drives Up the Amine Stability and Cyclic CO2 Capacity of a Solid-Amine@Carbon Sorbent." Advanced Materials 27(33): 4903-4909.           

Gurrutxaga-Lerma, B., D. S. Balint, et al. (2015). "Attenuation of the Dynamic Yield Point of Shocked Aluminum Using Elastodynamic Simulations of Dislocation Dynamics." Physical Review Letters 114(17).           

Holliday, S., R. S. Ashraf, et al. (2015). "A Rhodanine Flanked Nonfullerene Acceptor for Solution-Processed Organic Photovoltaics." Journal of the American Chemical Society 137(2): 898-904.           

Holmstroem, E. and L. Stixrude (2015). "Spin Crossover in Ferropericlase from First-Principles Molecular Dynamics." Physical Review Letters 114(11).         

Horton, M. K., S. Rhode, et al. (2015). "Segregation of In to Dislocations in InGaN." Nano Letters 15(2): 923-930.           

Hsieh, P., C. Chung, et al. (2015). "Photon transport enhanced by transverse Anderson localization in disordered superlattices." Nature Physics 11(3): 268-274.        

Hylton, R. K., G. J. Tizzard, et al. (2015). "Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?" Journal of the American Chemical Society 137(34): 11095-11104.           

Kaiser, V., S. T. Bramwell, et al. (2015). "ac Wien Effect in Spin Ice, Manifest in Nonlinear, Nonequilibrium Susceptibility." Physical Review Letters 115(3).           

Kalidindi, S. B., S. Nayak, et al. (2015). "Chemical and Structural Stability of Zirconium-based Metal-Organic Frameworks with Large Three-Dimensional Pores by Linker Engineering." Angewandte Chemie-International Edition 54(1): 221-226.           

Kermode, J. R., A. Gleizer, et al. (2015). "Low Speed Crack Propagation via Kink Formation and Advance on the Silicon (110) Cleavage Plane." Physical Review Letters 115(13).           

Leguy, A. M. A., J. M. Frost, et al. (2015). "The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells." Nature Communications 6.           

Li, Y., Y. Wang, et al. (2015). "Metallic Icosahedron Phase of Sodium at Terapascal Pressures." Physical Review Letters 114(12).           

Li, Z., J. R. Kermode, et al. (2015). "Molecular Dynamics with On-the-Fly Machine Learning of Quantum-Mechanical Forces." Physical Review Letters 114(9).          

Little, M. A., M. E. Briggs, et al. (2015). "Trapping virtual pores by crystal retro-engineering." Nature Chemistry 7(2): 153-159.           

Lyle, M. J., C. J. Pickard, et al. (2015). "Prediction of 10-fold coordinated TiO2 and SiO2 structures at multimegabar pressures." Proceedings of the National Academy of Sciences of the United States of America 112(22): 6898-6901.     

Ma, M., G. Tocci, et al. (2015). "Fast diffusion of water nanodroplets on graphene." Nat Mater advance online publication.

Marino, K. A., L. Sutto, et al. (2015). "The Effect of a Widespread Cancer-Causing Mutation on the Inactive to Active Dynamics of the B-Raf Kinase." Journal of the American Chemical Society 137(16): 5280-5283.           

Moia, D., T. Leijtens, et al. (2015). "Dye Monolayers Used as the Hole Transporting Medium in Dye-Sensitized Solar Cells." Advanced Materials 27(39): 5889-5894.           

Neira, A. D., N. Olivier, et al. (2015). "Eliminating material constraints for nonlinearity with plasmonic metamaterials." Nature Communications 6.           

Polyansky, O. L., K. Bielska, et al. (2015). "High-Accuracy CO2 Line Intensities Determined from Theory and Experiment." Physical Review Letters 114(24).           

Potter, M. E., A. J. Paterson, et al. (2015). "Spectroscopic and Computational Insights on Catalytic Synergy in Bimetallic Aluminophosphate Catalysts." Journal of the American Chemical Society 137(26): 8534-8540.           

Pronschinske, A., P. Pedevilla, et al. (2015). "Enhancement of low-energy electron emission in 2D radioactive films." Nature Materials 14(9): 904-907.        

Rapp, L., B. Haberl, et al. (2015). "Experimental evidence of new tetragonal polymorphs of silicon formed through ultrafast laser-induced confined microexplosion." Nature Communications 6.           

Relat-Goberna, J. and S. Garcia-Manyes (2015). "Direct Observation of the Dynamics of Self-Assembly of Individual Solvation Layers in Molecularly Confined Liquids." Physical Review Letters 114(25).           

Sprick, R. S., J.-X. Jiang, et al. (2015). "Tunable Organic Photocatalysts for Visible-Light-Driven Hydrogen Evolution." Journal of the American Chemical Society 137(9): 3265-3270.           

Stewart, H. M., S. A. Shevlin, et al. (2015). "Compressive Straining of Bilayer Phosphorene Leads to Extraordinary Electron Mobility at a New Conduction Band Edge." Nano Letters 15(3): 2006-2010.         

Suter, J. L., D. Groen, et al. (2015). "Chemically Specific Multiscale Modeling of Clay-Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self-Assembly and Emergent Materials Properties." Advanced Materials 27(6): 966-984.           

Sutto, L., S. Marsili, et al. (2015). "From residue coevolution to protein conformational ensembles and functional dynamics." Proceedings of the National Academy of Sciences of the United States of America 112(44): 13567-13572.           

Thomas, R. E., G. H. Booth, et al. (2015). "Accurate Ab Initio Calculation of Ionization Potentials of the First-Row Transition Metals with the Configuration-Interaction Quantum Monte Carlo Technique." Physical Review Letters 114(3).           

Walsh, A., D. O. Scanlon, et al. (2015). "Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites." Angewandte Chemie-International Edition 54(6): 1791-1794.           

Warner, B., F. El Hallak, et al. (2015). "Tunable magnetoresistance in an asymmetrically coupled single-molecule junction." Nature Nanotechnology 10(3): 259-263.           

Zhang, P., R. E. Cohen, et al. (2015). "Effects of electron correlations on transport properties of iron at Earth's core conditions." Nature 517(7536): 605-U376.           

Zheng, L., S. Sonzini, et al. (2015). "Turning Cucurbit 8 uril into a Supramolecular Nanoreactor for Asymmetric Catalysis." Angewandte Chemie-International Edition 53(44): 13007-13011.     


2014 Publications

Azadi, S., B. Monserrat, et al. (2014). "Dissociation of High-Pressure Solid Molecular Hydrogen: A Quantum Monte Carlo and Anharmonic Vibrational Study." Physical Review Letters 112(16).        

Badro, J., A. S. Cote, et al. (2014). "A seismologically consistent compositional model of Earth's core." Proceedings of the National Academy of Sciences of the United States of America 111(21): 7542-7545.

Bamidele, J., S. H. Lee, et al. (2014). "Vertical atomic manipulation with dynamic atomic-force microscopy without tip change via a multi-step mechanism." Nature Communications 5.

Bovo, L., X. Moya, et al. (2014). "Restoration of the third law in spin ice thin films." Nature Communications 5.

Bramwell, S. T. and B. Keimer (2014). "Neutron scattering from quantum condensed matter comment." Nature Materials 13(8): 763-767.

Breuer, M., K. M. Rosso, et al. (2014). "Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentials." Proceedings of the National Academy of Sciences of the United States of America 111(2): 611-616.

Chumakov, A. I., G. Monaco, et al. (2014). "Role of Disorder in the Thermodynamics and Atomic Dynamics of Glasses." Physical Review Letters 112(2).

Davidson, E. R. M., J. Klimes, et al. (2014). "Cooperative Interplay of van der Waals Forces and Quantum Nuclear Effects on Adsorption: H at Graphene and at Coronene." Acs Nano 8(10): 9905-9913.

Davies, E., K. H. Mueller, et al. (2014). "Citrate bridges between mineral platelets in bone." Proceedings of the National Academy of Sciences of the United States of America 111(14): E1354-E1363.

Davies, G. B., T. Krueger, et al. (2014). "Assembling Ellipsoidal Particles at Fluid Interfaces Using Switchable Dipolar Capillary Interactions." Advanced Materials 26(39): 6715-6719.

Deacon-Smith, D. E. E., D. O. Scanlon, et al. (2014). "Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces." Advanced Materials 26(42): 7252-7256.

Della Pia, A., M. Riello, et al. (2014). "Anomalous Coarsening Driven by Reversible Charge Transfer at Metal-Organic Interfaces." Acs Nano 8(12): 12356-12364.

Fourmond, V., C. Greco, et al. (2014). "The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster." Nature Chemistry 6(4): 336-342.

Ganguly, A., P. Thaplyal, et al. (2014). "Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Self-Cleavage Reaction in the Hepatitis Delta Virus Ribozyme." Journal of the American Chemical Society 136(4): 1483-1496.

Gao, D. Z., J. Grenz, et al. (2014). "Using Metallic Noncontact Atomic Force Microscope Tips for Imaging Insulators and Polar Molecules: Tip Characterization and Imaging Mechanisms." Acs Nano 8(5): 5339-5351.

Gleizer, A., G. Peralta, et al. (2014). "Dissociative Chemisorption of O-2 Inducing Stress Corrosion Cracking in Silicon Crystals." Physical Review Letters 112(11).

Goni, G. M., C. Epifano, et al. (2014). "Phosphatidylinositol 4,5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes." Proceedings of the National Academy of Sciences of the United States of America 111(31): E3177-E3186.

Han, X., H. M. Stewart, et al. (2014). "Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons." Nano Letters 14(8): 4607-4614.

Hayashi, K., P. V. Sushko, et al. (2014). "Hydride ions in oxide hosts hidden by hydroxide ions." Nature Communications 5.

Hildebrand, B., C. Didiot, et al. (2014). "Doping Nature of Native Defects in 1T-TiSe2." Physical Review Letters 112(19).

Kahk, J. M., C. G. Poll, et al. (2014). "Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory." Physical Review Letters 112(11).

Kapitanova, P. V., P. Ginzburg, et al. (2014). "Photonic spin Hall effect in hyperbolic metamaterials for polarization-controlled routing of subwavelength modes." Nature Communications 5.

Keeling, J., M. J. Bhaseen, et al. (2014). "Fermionic Superradiance in a Transversely Pumped Optical Cavity." Physical Review Letters 112(14).

Kuganathan, N., H. Hosono, et al. (2014). "Enhanced N-2 Dissociation on Ru-Loaded Inorganic Electride." Journal of the American Chemical Society 136(6): 2216-2219.

Kyriakou, G., E. R. M. Davidson, et al. (2014). "Significant Quantum Effects in Hydrogen Activation." Acs Nano 8(5): 4827-4835.

Meng, Q., H. Wu, et al. (2014). "High-Performance All-Carbon Yarn Micro-Supercapacitor for an Integrated Energy System." Advanced Materials 26(24): 4100-4106.

Monserrat, B., N. D. Drummond, et al. (2014). "Electron-Phonon Coupling and the Metallization of Solid Helium at Terapascal Pressures." Physical Review Letters 112(5).

Nasir, M. E., W. Dickson, et al. (2014). "Hydrogen Detected by the Naked Eye: Optical Hydrogen Gas Sensors Based on Core/Shell Plasmonic Nanorod Metamaterials." Advanced Materials 26(21): 3532-3537.

O'Connor, D., P. Ginzburg, et al. (2014). "Spin-orbit coupling in surface plasmon scattering by nanostructures." Nature Communications 5.

Omiciuolo, L., E. R. Hernandez, et al. (2014). "Bottom-up approach for the low-cost synthesis of graphene-alumina nanosheet interfaces using bimetallic alloys." Nature Communications 5.

Park, C.-H., N. Bonini, et al. (2014). "Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene." Nano Letters 14(3): 1113-1119.

Paulsen, C., M. J. Jackson, et al. (2014). "Far-from-equilibrium monopole dynamics in spin ice." Nature Physics 10(2): 135-139.

Pickard, C. J. and R. J. Needs (2014). "HIGH-PRESSURE PHYSICS Piling on the pressure." Nature 511(7509): 294-295.

Pickering, T., J. M. Hamm, et al. (2014). "Cavity-free plasmonic nanolasing enabled by dispersionless stopped light." Nature Communications 5.

Price, S. L. (2014). "CHEMISTRY Lattice energy, nailed?" Science 345(6197): 619-620.

Romano, C., P. Buffa, et al. (2014). "BCR-ABL residues interacting with Ponatinib are critical to preserve the tumorigenic potential of the oncoprotein." Faseb Journal 28(1).

Rosta, E., W. Yang, et al. (2014). "Calcium Inhibition of Ribonuclease H1 Two-Metal Ion Catalysis." Journal of the American Chemical Society 136(8): 3137-3144.

Serri, M., W. Wu, et al. (2014). "High-temperature antiferromagnetism in molecular semiconductor thin films and nanostructures." Nature Communications 5.

Sidiropoulos, T. P. H., R. Roeder, et al. (2014). "Ultrafast plasmonic nanowire lasers near the surface plasmon frequency." Nature Physics 10(11): 870-876.

Slater, B. and D. Quigley (2014). "CRYSTAL NUCLEATION Zeroing in on ice." Nature Materials 13(7): 670-671.

Su, R., R. Tiruvalam, et al. (2014). "Designer Titania-Supported Au-Pd Nanoparticles for Efficient Photocatalytic Hydrogen Production." Acs Nano 8(4): 3490-3497.

Sweetman, A. M., S. P. Jarvis, et al. (2014). "Mapping the force field of a hydrogen-bonded assembly." Nature Communications 5.

Swinburne, T. D., S. L. Dudarev, et al. (2014). "Classical Mobility of Highly Mobile Crystal Defects." Physical Review Letters 113(21).

Tocci, G., L. Joly, et al. (2014). "Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures." Nano Letters 14(12): 6872-6877.

Tsai, K.-T., G. A. Wurtz, et al. (2014). "Looking into Meta-Atoms of Plasmonic Nanowire Metamaterial." Nano Letters 14(9): 4971-4976.

Tsakmakidis, K. L., T. W. Pickering, et al. (2014). "Completely Stopped and Dispersionless Light in Plasmonic Waveguides." Physical Review Letters 112(16).

Turin, L., E. M. C. Skoulakis, et al. (2014). "Electron spin changes during general anesthesia in Drosophila." Proceedings of the National Academy of Sciences of the United States of America 111(34): E3524-E3533.

Valev, V. K., J. J. Baumberg, et al. (2014). "Nonlinear Superchiral Meta-Surfaces: Tuning Chirality and Disentangling Non-Reciprocity at the Nanoscale." Advanced Materials 26(24): 4074-4081.

Weber, C., D. J. Cole, et al. (2014). "Renormalization of myoglobin-ligand binding energetics by quantum many-body effects." Proceedings of the National Academy of Sciences of the United States of America 111(16): 5790-5795.

Weber, C., T. Giamarchi, et al. (2014). "Phase Diagram of a Three-Orbital Model for High-T-c Cuprate Superconductors." Physical Review Letters 112(11).

Wu, H., S. A. Shevlin, et al. (2014). "Flexible and Binder-Free Organic Cathode for High-Performance Lithium-Ion Batteries." Advanced Materials 26(20): 3338-+.

Yang, S. L., J. A. Sobota, et al. (2014). "Superconducting graphene sheets in CaC6 enabled by phonon-mediated interband interactions." Nature Communications 5.

Yurchenko, S. N., J. Tennyson, et al. (2014). "Spectrum of hot methane in astronomical objects using a comprehensive computed line list." Proceedings of the National Academy of Sciences of the United States of America 111(26): 9379-9383.

Zha, C.-s., R. E. Cohen, et al. (2014). "Raman measurements of phase transitions in dense solid hydrogen and deuterium to 325 GPa." Proceedings of the National Academy of Sciences of the United States of America 111(13): 4792-4797.

Zhu, L., H. Liu, et al. (2014). "Reactions of xenon with iron and nickel are predicted in the Earth's inner core." Nature Chemistry 6(7): 645-649.


2013 Publications

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Bhaseen, M. J., J. P. Gauntlett, et al. (2013). "Holographic superfluids and the dynamics of symmetry breaking." Physical Review Letters 110(1): 015301-015301.

Bianco, F., D. R. Bowler, et al. (2013). "Scalable Patterning of One-Dimensional Dangling Bond Rows on Hydrogenated Si(001)." Acs Nano 7(5): 4422-4428.

Biris, C. G. and N. C. Panoiu (2013). "Nonlinear Surface-Plasmon Whispering-Gallery Modes in Metallic Nanowire Cavities." Physical Review Letters 111(20).

Bolmatov, D., V. V. Brazhkin, et al. (2013). "Thermodynamic behaviour of supercritical matter." Nature Communications 4.

Bovo, L., J. A. Bloxsom, et al. (2013). "Brownian motion and quantum dynamics of magnetic monopoles in spin ice." Nature Communications 4.

Brazhkin, V. V., Y. D. Fomin, et al. (2013). ""Liquid-Gas'' Transition in the Supercritical Region: Fundamental Changes in the Particle Dynamics." Physical Review Letters 111(14): 5901-5901.

Brodholt, J. (2013). "EARTH SCIENCE Water may be a damp squib." Nature 498(7453): 181-182.

Buchsbaum, S. F., N. Mitchell, et al. (2013). "Disentangling Steric and Electrostatic Factors in Nanoscale Transport Through Confined Space." Nano Letters 13(8): 3890-3896.

Chambers, S. A., Gu, M., et al. (2013). "Ultralow Contact Resistance at an Epitaxial Metal/Oxide Heterojunction Through Interstitial Site Doping." Advanced Materials 25 4001–4005

Chen, J., X.-Z. Li, et al. (2013). "Quantum simulation of low-temperature metallic liquid hydrogen." Nature Communications 4: 2064-2064.

Davies, P. M. Z., J. M. Hamm, et al. (2013). "Plasmonic Nanogap Tilings: Light-Concentrating Surfaces for Low-Loss Photonic Integration." Acs Nano 7(8): 7093-7100.

Ding, F., W. Xu, et al. (2013). "Dendrite-Free Lithium Deposition via Self-Healing Electrostatic Shield Mechanism." Journal of the American Chemical Society 135(11): 4450-4456.

Fishman, J. M., M. W. Lowdell, et al. (2013). "Immunomodulatory effect of a decellularized skeletal muscle scaffold in a discordant xenotransplantation model." Proceedings of the National Academy of Sciences of the United States of America 110(35): 14360-14365.

Floris, A., A. Comisso, et al. (2013). "Fine-Tuning the Electrostatic Properties of an Alkali-Linked Organic Adlayer on a Metal Substrate." Acs Nano 7(9): 8059-8065.

Ginzburg, P. and A. V. Zayats (2013). "Localized Surface Plasmon Resonances in Spatially Dispersive Nano-Objects: Phenomenological Treatise." Acs Nano 7(5): 4334-4342.

Ginzburg, P., A. V. Krasavin, et al. (2013). "Self-Induced Torque in Hyperbolic Metamaterials." Physical Review Letters 111(3).

Hamm, J. M. and O. Hess (2013). "Two Two-Dimensional Materials Are Better than One." Science 340(6138): 1298-1299.

Hess, O. and K. L. Tsakmakidis (2013). "Metamaterials with Quantum Gain." Science 339(6120): 654-655.

Hodge, S. A., S. Fogden, et al. (2013). "Electrochemical Processing of Discrete Single-Walled Carbon Nanotube Anions." Acs Nano 7(2): 1769-1778.

James, D. T., J. M. Frost, et al. (2013). "Controlling Microstructure of Pentacene Derivatives by Solution Processing: Impact of Structural Anisotropy on Optoelectronic Properties." Acs Nano 7(9): 7983-7991.

Janssen, R. A. J. and J. Nelson (2013). "Factors Limiting Device Efficiency in Organic Photovoltaics." Advanced Materials 25(13): 1847-1858.

Juraszek, J., G. Saladino, et al. (2013). "Efficient Numerical Reconstruction of Protein Folding Kinetics with Partial Path Sampling and Pathlike Variables." Physical Review Letters 110(10).

Kaiser, V., S. T. Bramwell, et al. (2013). "Onsager's Wien effect on a lattice." Nature Materials 12(11): 1032-1036.

Kermode, J. R., L. Ben-Bashat, et al. (2013). "Macroscopic scattering of cracks initiated at single impurity atoms." Nature Communications 4.

Kervyn, S., N. Kalashnyk, et al. (2013). ""Magic" surface clustering of borazines driven by repulsive intermolecular forces." Angewandte Chemie (International ed. in English) 52(29): 7410-7414.

Kunze, M. B. A., D. W. Wright, et al. (2013). "Loop Interactions and Dynamics Tune the Enzymatic Activity of the Human Histone Deacetylase 8." Journal of the American Chemical Society 135(47): 17862-17868.

Marcinkowski, M. D., A. D. Jewell, et al. (2013). "Controlling a spillover pathway with the molecular cork effect." Nature Materials 12(6): 523-528.

Martorell, B., L. Vocadlo, et al. (2013). "Strong Premelting Effect in the Elastic Properties of hcp-Fe Under Inner-Core Conditions." Science 342(6157): 466-468.

Meager, L., R. S. Ashraf, et al. (2013). "Photocurrent Enhancement from Diketopyrrolopyrrole Polymer Solar Cells through Alkyl-Chain Branching Point Manipulation." Journal of the American Chemical Society 135(31): 11537-11540.

Oh, S. S., A. Demetriadou, et al. (2013). "On the Origin of Chirality in Nanoplasmonic Gyroid Metamaterials." Advanced Materials 25(4): 612-617.

Osley, E. J., C. G. Biris, et al. (2013). "Fano Resonance Resulting from a Tunable Interaction between Molecular Vibrational Modes and a Double Continuum of a Plasmonic Metamolecule." Physical Review Letters 110(8).

Pickard, C. J., M. Martinez-Canales, et al. (2013). "Decomposition and Terapascal Phases of Water Ice." Physical Review Letters 110(24).

Popa, I., P. Kosuri, et al. (2013). "Force dependency of biochemical reactions measured by single-molecule force-clamp spectroscopy." Nature Protocols 8(7): 1261-1276.

Raza, Z., C. J. Pickard, et al. (2013). "High Energy Density Mixed Polymeric Phase from Carbon Monoxide and Nitrogen." Physical Review Letters 111(23).

Rhode, S. K., M. K. Horton, et al. (2013). "Mg Doping Affects Dislocation Core Structures in GaN." Physical Review Letters 111(2): 025502-025502.

Rodriguez-Fortuno, F. J., G. Marino, et al. (2013). "Near-Field Interference for the Unidirectional Excitation of Electromagnetic Guided Modes." Science 340(6130): 328-330.

Sahun-Roncero, M., B. Rubio-Ruiz, et al. (2013). "The Mechanism of Allosteric Coupling in Choline Kinase1 Revealed by the Action of a Rationally Designed Inhibitor." Angewandte Chemie-International Edition 52(17): 4582-4586

Salvatore, S., A. Demetriadou, et al. (2013). "Tunable 3D Extended Self-Assembled Gold Metamaterials with Enhanced Light Transmission." Advanced Materials 25(19): 2713-2716.

Scanlon, D.O., Dunnill, C.W., et al. (2013). "Band alignment of rutile and anatase TiO2." Nature Materials advance online publication.

Schmuck, M., M. Pradas, et al. (2013). "New Stochastic Mode Reduction Strategy for Dissipative Systems." Physical Review Letters 110(24).

Schofield, S. R., P. Studer, et al. (2013). "Quantum engineering at the silicon surface using dangling bonds." Nature Communications 4.

Stuerzenbaum, S. R., M. Hoeckner, et al. (2013). "Biosynthesis of luminescent quantum dots in an earthworm." Nature Nanotechnology 8(1): 57-60.

Sun, J., M. Martinez-Canales, et al. (2013). "Stable All-Nitrogen Metallic Salt at Terapascal Pressures." Physical Review Letters 111(17).

Sushko, P. V., L. Qiao, et al. (2013). "Multiband Optical Absorption Controlled by Lattice Strain in Thin-Film LaCrO3." Physical Review Letters 110(7).

Sutto, L. and F. Luigi Gervasio (2013). "Effects of oncogenic mutations on the conformational free-energy landscape of EGFR kinase." Proceedings of the National Academy of Sciences of the United States of America 110(26): 10616-10621.

Toda, Y., H. Hirayama, et al. (2013). "Activation and splitting of carbon dioxide on the surface of an inorganic electride material." Nature Communications 4.

Vithanage, D. A., A. Devizis, et al. (2013). "Visualizing charge separation in bulk heterojunction organic solar cells." Nature Communications 4.

Vocadlo, L. (2013). "EARTH SCIENCE Core composition revealed." Nature 495(7440): 177-178.

Wang, P.-h., M. Bruschi, et al. (2013). "Uncovering a Dynamically Formed Substrate Access Tunnel in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase." Journal of the American Chemical Society 135(25): 9493-9502.

Warner, M., S. Din, et al. (2013). "Potential for spin-based information processing in a thin-film molecular semiconductor." Nature 503(7477): 504-+.

Weber, C., D. D. O'Regan, et al. (2013). "Importance of many-body effects in the Kernel of hemoglobin for ligand binding." Physical Review Letters 110(10): 106402-106402.

Weick, G., C. Woollacott, et al. (2013). "Dirac-like Plasmons in Honeycomb Lattices of Metallic Nanoparticles." Physical Review Letters 110(10).

Wiener, A., H. Duan, et al. (2013). "Electron-energy loss study of nonlocal effects in connected plasmonic nanoprisms." Acs Nano 7(7): 6287-6296.

Yakovlev, V. V., W. Dickson, et al. (2013). "Ultrasensitive Non-Resonant Detection of Ultrasound with Plasmonic Metamaterials." Advanced Materials 25(16): 2351-2356.

Zayats, A. V. (2013). "A glint of the future." Nature 495(7440): S7-S7.


2012 Publications

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Abdurakhmanova, N., A. Floris, et al. (2012). "Stereoselectivity and electrostatics in charge-transfer Mn- and Cs-TCNQ(4) networks on Ag(100)." Nature Communications 3.

Berkovich, R., R. I. Hermans, et al. (2012). "Rate limit of protein elastic response is tether dependent." Proceedings of the National Academy of Sciences of the United States of America 109(36): 14416-14421.

Bonini, N., J. Garg, et al. (2012). "Acoustic Phonon Lifetimes and Thermal Transport in Free-Standing and Strained Graphene." Nano Letters 12(6): 2673-2678.

Bouillard, J.-S. G., W. Dickson, et al. (2012). "Low-Temperature Plasmonics of Metallic Nanostructures." Nano Letters 12(3): 1561-1565.

Bowler, D. R. and T. Miyazaki (2012). "O(N) methods in electronic structure calculations." Reports on Progress in Physics 75(3).

Bramwell, S. T. (2012). "MAGNETIC MONOPOLES Magnetricity near the speed of light." Nature Physics 8(10): 703-704.

Breuer, M., P. Zarzycki, et al. (2012). "Thermodynamics of Electron Flow in the Bacterial Deca-heme Cytochrome MtrF." Journal of the American Chemical Society 134(24): 9868-9871.

Carrasco, J., A. Hodgson, et al. (2012). "A molecular perspective of water at metal interfaces." Nature Materials 11(8): 667-674.

Cavallin, A., M. Pozzo, et al. (2012). "Local Electronic Structure and Density of Edge and Facet Atoms at Rh Nanoclusters Self-Assembled on a Graphene Template." Acs Nano 6(4): 3034-3043.

Chiutu, C., A. M. Sweetman, et al. (2012). "Precise orientation of a single C60 molecule on the tip of a scanning probe microscope." Physical Review Letters 108(26): 268302-268302.

Domene, C. (2012). "Voltage-sensor cycle fully described." Proceedings of the National Academy of Sciences of the United States of America 109(22): 8362-8363.

Faist, M. A., T. Kirchartz, et al. (2012). "Competition between the Charge Transfer State and the Singlet States of Donor or Acceptor Limiting the Efficiency in Polymer:Fullerene Solar Cells." Journal of the American Chemical Society 134(1): 685-692.

Fedyanin, D. Y., A. V. Krasavin, et al. (2012). "Surface Plasmon Polariton Amplification upon Electrical Injection in Highly Integrated Plasmonic Circuits." Nano Letters 12(5): 2459-2463.

Fogden, S., C. A. Howard, et al. (2012). "Scalable Method for the Reductive Dissolution, Purification, and Separation of Single-Walled Carbon Nanotubes." Acs Nano 6(1): 54-62.

Ginzburg, P., F. J. Rodriguez-Fortuno, et al. (2012). "Analogue of the Quantum Hanle Effect and Polarization Conversion in Non-Hermitian Plasmonic Metamaterials." Nano Letters 12(12): 6309-6314.

Goddard, B. D., A. Nold, et al. (2012). "General Dynamical Density Functional Theory for Classical Fluids." Physical Review Letters 109(12).

Guilbert, A. A. Y., L. X. Reynolds, et al. (2012). "Effect of Multiple Adduct Fullerenes on Microstructure and Phase Behavior of P3HT:Fullerene Blend Films for Organic Solar Cells." Acs Nano 6(5): 3868-3875.

Hassanali, A. A., J. Cuny, et al. (2012). "The Fuzzy Quantum Proton in the Hydrogen Chloride Hydrates." Journal of the American Chemical Society 134(20): 8557-8569.

Hess, O., J. B. Pendry, et al. (2012). "Active nanoplasmonic metamaterials." Nature Materials 11(7): 573-584.

Kauranen, M. and A. V. Zayats (2012). "Nonlinear plasmonics." Nature Photonics 6(11): 737-748.

Kimmel, A. V., P. M. Weaver, et al. (2012). "Defect-Mediated Lattice Relaxation and Domain Stability in Ferroelectric Oxides." Physical Review Letters 109(11).

Krasavin, A. V. and A. V. Zayats (2012). "Photonic signal processing on electronic scales: electro-optical field-effect nanoplasmonic modulator." Physical Review Letters 109(5): 053901-053901.

Lans, I., M. Medina, et al. (2012). "Theoretical Study of the Mechanism of the Hydride Transfer between Ferredoxin-NADP(+) Reductase and NADP(+): The Role of Tyr303." Journal of the American Chemical Society 134(50): 20544-20553.

Li, M.-R., U. Adem, et al. (2012). "A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature." Journal of the American Chemical Society 134(8): 3737-3747.

Martinez-Canales, M., C. J. Pickard, et al. (2012). "Thermodynamically Stable Phases of Carbon at Multiterapascal Pressures." Physical Review Letters 108(4).

McKenna, K. P., M. J. Wolf, et al. (2012). "Two-Dimensional Polaronic Behavior in the Binary Oxides m-HfO2 and m-ZrO2." Physical Review Letters 108(11).

Milner, E. M., N. T. Skipper, et al. (2012). "Structure and Morphology of Charged Graphene Platelets in Solution by Small-Angle Neutron Scattering." Journal of the American Chemical Society 134(20): 8302-8305.

Mura, M., F. Silly, et al. (2012). "Formation mechanism for a hybrid supramolecular network involving cooperative interactions." Physical Review Letters 108(17): 176103-176103.

Pandini, A., A. Fornili, et al. (2012). "Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics." Faseb Journal 26(2): 868-881.

Pozzo, M., C. Davies, et al. (2012). "Thermal and electrical conductivity of iron at Earth's core conditions." Nature 485(7398): 355-U399.

Pusch, A., S. Wuestner, et al. (2012). "Coherent Amplification and Noise in Gain-Enhanced Nanoplasmonic Metamaterials: A Maxwell-Bloch Langevin Approach." Acs Nano 6(3): 2420-2431.

Roemer, F., F. Bresme, et al. (2012). "Thermomolecular Orientation of Nonpolar Fluids." Physical Review Letters 108(10).

Sapienza, R., T. Coenen, et al. (2012). "Deep-subwavelength imaging of the modal dispersion of light." Nature Materials 11(9): 781-787.

Scanlon, D. O., P. D. C. King, et al. (2012). "Controlling Bulk Conductivity in Topological Insulators: Key Role of Anti-Site Defects." Advanced Materials 24(16): 2154-2158.

Spinney, R. E. and I. J. Ford (2012). "Nonequilibrium Thermodynamics of Stochastic Systems with Odd and Even Variables." Physical Review Letters 108(17).

Stixrude, L. (2012). "Structure of Iron to 1 Gbar and 40 000 K." Physical Review Letters 108(5).

Studer, P., V. Brazdova, et al. (2012). "Site-Dependent Ambipolar Charge States Induced by Group V Atoms in a Silicon Surface." Acs Nano 6(12): 10456-10462.

Sun, J., M. Martinez-Canales, et al. (2012). "Persistence and Eventual Demise of Oxygen Molecules at Terapascal Pressures." Physical Review Letters 108(4).

Valev, V. K., B. De Clercq, et al. (2012). "Distributing the Optical Near-Field for Efficient Field-Enhancements in Nanostructures." Advanced Materials 24(35): OP208-OP215.

Verucchi, R., L. Aversa, et al. (2012). "Epitaxy of Nanocrystalline Silicon Carbide on Si(111) at Room Temperature." Journal of the American Chemical Society 134(42): 17400-17403.

Wang, P.-H. and J. Blumberger (2012). "Mechanistic insight into the blocking of CO diffusion in NiFe -hydrogenase mutants through multiscale simulation." Proceedings of the National Academy of Sciences of the United States of America 109(17): 6399-6404.

Wang, X., Y. Wang, et al. (2012). "Cagelike Diamondoid Nitrogen at High Pressures." Physical Review Letters 109(17).

Warner, M., S. Mauthoor, et al. (2012). "Spin-Based Diagnostic of Nanostructure in Copper Phthalocyanine-C-60 Solar Cell Blends." Acs Nano 6(12): 10808-10815.

Weber, C., D. D. O'Regan, et al. (2012). "Vanadium dioxide: a Peierls-Mott insulator stable against disorder." Physical Review Letters 108(25): 256402-256402.

Wiener, A., A. I. Fernandez-Dominguez, et al. (2012). "Nonlocal Effects in the Nanofocusing Performance of Plasmonic Tips." Nano Letters 12(6): 3308-3314.

Woolcot, T., G. Teobaldi, et al. (2012). "Scanning Tunneling Microscopy Contrast Mechanisms for TiO2." Physical Review Letters 109(15).

Wright, D. W., S. K. Sadiq, et al. (2012). "Thumbs Down for HIV: Domain Level Rearrangements Do Occur in the NNRTI-Bound HIV-1 Reverse Transcriptase." Journal of the American Chemical Society 134(31): 12885-12888.

Xiao, J., X. Chen, et al. (2012). "High-Performance LiNi0.5Mn1.5O4 Spinel Controlled by Mn3+Concentration and Site Disorder." Advanced Materials 24(16): 2109-2116.


2011 Publications

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Alfonso-Prieto, M., H. Oberhofer, et al. (2011). "Proton Transfer Drives Protein Radical Formation in Helicobacter pylori Catalase but Not in Penicillium vitale Catalase." Journal of the American Chemical Society 133(12): 4285-4298.

Barth, C., A. S. Foster, et al. (2011). "Recent Trends in Surface Characterization and Chemistry with High-Resolution Scanning Force Methods." Advanced Materials 23(4): 477-501.

Carrasco, J., B. Santra, et al. (2011). "To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals." Physical Review Letters 106(2).

Chambers, S. A., L. Qiao, et al. (2011). "Band Alignment, Built-In Potential, and the Absence of Conductivity at the LaCrO3/SrTiO3(001) Heterojunction." Physical Review Letters 107(20).

Drummond, N. D., P. L. Rios, et al. (2011). "Quantum Monte Carlo Study of a Positron in an Electron Gas." Physical Review Letters 107(20).

Ferenczi, T. A. M., C. Mueller, et al. (2011). "Organic Semiconductor: Insulator Polymer Ternary Blends for Photovoltaics." Advanced Materials 23(35): 4093-+.

Forster, M., R. Raval, et al. (2011). "c(2 x 2) Water-Hydroxyl Layer on Cu(110): A Wetting Layer Stabilized by Bjerrum Defects." Physical Review Letters 106(4).

Garcia-Meca, C., J. Hurtado, et al. (2011). "Low-Loss Multilayered Metamaterial Exhibiting a Negative Index of Refraction at Visible Wavelengths." Physical Review Letters 106(6).

Garg, J., N. Bonini, et al. (2011). "High Thermal Conductivity in Short-Period Superlattices." Nano Letters 11(12): 5135-5141.

Giblin, S. R., S. T. Bramwell, et al. (2011). "Creation and measurement of long-lived magnetic monopole currents in spin ice." Nature Physics 7(3): 252-258.

Hamm, J. M., S. Wuestner, et al. (2011). "Theory of Light Amplification in Active Fishnet Metamaterials." Physical Review Letters 107(16).

Hyun, W. J., H. K. Lee, et al. (2011). "Two-Dimensional TiO2 Inverse Opal with a Closed Top Surface Structure for Enhanced Light Extraction from Polymer Light-Emitting Diodes." Advanced Materials 23(16): 1846-+.

Jones, J. T. A., T. Hasell, et al. (2011). "Modular and predictable assembly of porous organic molecular crystals." Nature 474(7351): 367-371.

Kena-Cohen, S., A. Wiener, et al. (2011). "Plasmonic Sinks for the Selective Removal of Long-Lived States." Acs Nano 5(12): 9958-9965.

Kim, D. Y., R. H. Scheicher, et al. (2011). "Predicted Formation of Superconducting Platinum-Hydride Crystals under Pressure in the Presence of Molecular Hydrogen." Physical Review Letters 107(11).

Kocaman, S., M. S. Aras, et al. (2011). "Zero phase delay in negative-refractive-index photonic crystal superlattices." Nature Photonics 5(8): 499-505.

Koester, T. K. J., E. Salager, et al. (2011). "Resolving the Different Silicon Clusters in Li12Si7 by 29Si and 6,7Li Solid-State NMR Spectroscopy." Angewandte Chemie-International Edition 50(52): 12591-12594.

Krasavin, A. V., T. P. Vo, et al. (2011). "All-Plasmonic Modulation via Stimulated Emission of Copropagating Surface Plasmon Polaritons on a Substrate with Gain." Nano Letters 11(6): 2231-2235.

Lawton, T. J., J. Carrasco, et al. (2011). "Visualization of Hydrogen Bonding and Associated Chirality in Methanol Hexamers." Physical Review Letters 107(25).

Leem, D.-S., A. Edwards, et al. (2011). "Efficient Organic Solar Cells with Solution-Processed Silver Nanowire Electrodes." Advanced Materials 23(38): 4371-+.

Li, X.-Z., B. Walker, et al. (2011). "Quantum nature of the hydrogen bond." Proceedings of the National Academy of Sciences of the United States of America 108(16): 6369-6373.

Marques, M., M. I. McMahon, et al. (2011). "Crystal Structures of Dense Lithium: A Metal-Semiconductor-Metal Transition." Physical Review Letters 106(9).

McKenna, K. P., D. Koller, et al. (2011). "Optical Properties of Nanocrystal Interfaces in Compressed MgO Nanopowders." Acs Nano 5(4): 3003-3009.

Miniussi, E., M. Pozzo, et al. (2011). "Thermal Stability of Corrugated Epitaxial Graphene Grown on Re(0001)." Physical Review Letters 106(21).

Nelson, J. (2011). "Polymer: fullerene bulk heterojunction solar cells." Materials Today 14(10): 462-470.

Ohmann, R., G. Levita, et al. (2011). "Influence of Subsurface Layers on the Adsorption of Large Organic Molecules on Close-Packed Metal Surfaces." Acs Nano 5(2): 1360-1365.

Pan, D., L.-M. Liu, et al. (2011). "Melting the Ice: On the Relation between Melting Temperature and Size for Nanoscale Ice Crystals." Acs Nano 5(6): 4562-4569.

Pickard, C. J. and R. J. Needs (2011). "Predicted Pressure-Induced s-Band Ferromagnetism in Alkali Metals." Physical Review Letters 107(8).

Pozzo, M., D. Alfe, et al. (2011). "Thermal expansion of supported and freestanding graphene: lattice constant versus interatomic distance." Physical Review Letters 106(13): 135501-135501.

Pradas, M., D. Tseluiko, et al. (2011). "Noise Induced State Transitions, Intermittency, and Universality in the Noisy Kuramoto-Sivashinksy Equation." Physical Review Letters 106(6).

Santra, B., J. Klimes, et al. (2011). "Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures." Physical Review Letters 107(18).

Sun, J., D. D. Klug, et al. (2011). "Controlling the Bonding and Band Gaps of Solid Carbon Monoxide with Pressure." Physical Review Letters 106(14).

Sweetman, A., S. Jarvis, et al. (2011). "Toggling Bistable Atoms via Mechanical Switching of Bond Angle." Physical Review Letters 106(13).

Teobaldi, G., K. Laemmle, et al. (2011). "Chemical Resolution at Ionic Crystal Surfaces Using Dynamic Atomic Force Microscopy with Metallic Tips." Physical Review Letters 106(21).

Tsoi, W. C., D. T. James, et al. (2011). "The Nature of In-Plane Skeleton Raman Modes of P3HT and Their Correlation to the Degree of Molecular Order in P3HT:PCBM Blend Thin Films." Journal of the American Chemical Society 133(25): 9834-9843.

Valev, V. K., A. V. Silhanek, et al. (2011). "Plasmons Reveal the Direction of Magnetization in Nickel Nanostructures." Acs Nano 5(1): 91-96.

Wang, P.-h., R. B. Best, et al. (2011). "Multiscale Simulation Reveals Multiple Pathways for H-2 and O-2 Transport in a NiFe -Hydrogenase." Journal of the American Chemical Society 133(10): 3548-3556.

Wang, Z., M. Saito, et al. (2011). "Atom-resolved imaging of ordered defect superstructures at individual grain boundaries." Nature 479(7373): 380-383.

Watkins, M., D. Pan, et al. (2011). "Large variation of vacancy formation energies in the surface of crystalline ice." Nature Materials 10(10): 794-798.

Wurtz, G. A., R. Pollard, et al. (2011). "Designed ultrafast optical nonlinearity in a plasmonic nanorod metamaterial enhanced by nonlocality." Nature Nanotechnology 6(2): 106-110.

Yildirimer, L., N. T. K. Thanh, et al. (2011). "Toxicological considerations of clinically applicable nanoparticles." Nano Today 6(6): 585-607.

Yu, M., J. Wang, et al. (2011). "Homochiral Xanthine Quintet Networks Self-Assembled on Au(111) Surfaces." Acs Nano 5(8): 6651-6660.

Zhou, H. D., S. T. Bramwell, et al. (2011). "High pressure route to generate magnetic monopole dimers in spin ice." Nature Communications 2.


2010 Publications

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Ammann, M. W., J. P. Brodholt, et al. (2010). "First-principles constraints on diffusion in lower-mantle minerals and a weak D '' layer." Nature 465(7297): 462-465.

Brent, R., P. Cubillas, et al. (2010). "Unstitching the Nanoscopic Mystery of Zeolite Crystal Formation." Journal of the American Chemical Society 132(39): 13858-13868.

Brodland, G. W., V. Conte, et al. (2010). "Video force microscopy reveals the mechanics of ventral furrow invagination in Drosophila." Proceedings of the National Academy of Sciences of the United States of America 107(51): 22111-22116.

Chakroun, N., S. Prigent, et al. (2010). "The oligomerization properties of prion protein are restricted to the H2H3 domain." Faseb Journal 24(9): 3222-3231.

Chua, A. L. S., N. A. Benedek, et al. (2010). "A genetic algorithm for predicting the structures of interfaces in multicomponent systems." Nature Materials 9(5): 418-422.

Clarke, T. M., A. Ballantyne, et al. (2010). "Analysis of Charge Photogeneration as a Key Determinant of Photocurrent Density in Polymer: Fullerene Solar Cells." Advanced Materials 22(46): 5287-5291.

Fernandez-Torre, D., T. Albaret, et al. (2010). "Role of Surface Reconstructions in (111) Silicon Fracture." Physical Review Letters 105(18).

Frost, J. M., M. A. Faist, et al. (2010). "Energetic Disorder in Higher Fullerene Adducts: A Quantum Chemical and Voltammetric Study." Advanced Materials 22(43): 4881-+.

Haque, S. A. and J. Nelson (2010). "Toward Organic All-Optical Switching." Science 327(5972): 1466-1467.

Headen, T. F., C. A. Howard, et al. (2010). "Structure of pi-pi Interactions in Aromatic Liquids." Journal of the American Chemical Society 132(16): 5735-5742.

Hernandez, E. R., A. Rodriguez-Prieto, et al. (2010). "First-Principles Simulations of Lithium Melting: Stability of the bcc Phase Close to Melting." Physical Review Letters 104(18).

Karki, B. B. and L. Stixrude (2010). "First-Principles Study of Enhancement of Transport Properties of Silica Melt by Water." Physical Review Letters 104(21).

Karki, B. B. and L. P. Stixrude (2010). "Viscosity of MgSiO3 Liquid at Earth's Mantle Conditions: Implications for an Early Magma Ocean." Science 328(5979): 740-742.

Keivanidis, P. E., V. Kamm, et al. (2010). "Delayed Luminescence Spectroscopy of Organic Photovoltaic Binary Blend Films: Probing the Emissive Non-geminate Charge Recombination." Advanced Materials 22(45): 5183-+.

Laemmle, K., T. Trevethan, et al. (2010). "Unambiguous Determination of the Adsorption Geometry of a Metal-Organic Complex on a Bulk Insulator." Nano Letters 10(8): 2965-2971.

Li, X.-Z., M. I. J. Probert, et al. (2010). "Quantum Nature of the Proton in Water-Hydroxyl Overlayers on Metal Surfaces." Physical Review Letters 104(6).

Maurano, A., R. Hamilton, et al. (2010). "Recombination Dynamics as a Key Determinant of Open Circuit Voltage in Organic Bulk Heterojunction Solar Cells: A Comparison of Four Different Donor Polymers." Advanced Materials 22(44): 4987-+.

McPhillips, J., A. Murphy, et al. (2010). "High-Performance Biosensing Using Arrays of Plasmonic Nanotubes." Acs Nano 4(4): 2210-2216.

Moras, G., L. C. Ciacchi, et al. (2010). "Atomically Smooth Stress-Corrosion Cleavage of a Hydrogen-Implanted Crystal." Physical Review Letters 105(7).

Oberhofer, H. and J. Blumberger (2010). "Insight into the Mechanism of the Ru2+-Ru3+ Electron Self-Exchange Reaction from Quantitative Rate Calculations." Angewandte Chemie-International Edition 49(21): 3631-3634.

Papageorgiou, A. C., N. S. Beglitis, et al. (2010). "Electron traps and their effect on the surface chemistry of TiO2 (110)." Proceedings of the National Academy of Sciences of the United States of America 107(6): 2391-2396.

Pickard, C. J. and R. J. Needs (2010). "Aluminium at terapascal pressures." Nature Materials 9(8): 624-627.

Race, C. P., D. R. Mason, et al. (2010). "The treatment of electronic excitations in atomistic models of radiation damage in metals." Reports on Progress in Physics 73(11).

Salager, E., G. M. Day, et al. (2010). "Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution H-1 Solid-State NMR Spectroscopy." Journal of the American Chemical Society 132(8): 2564-+.

Savva, N., S. Kalliadasis, et al. (2010). "Two-Dimensional Droplet Spreading over Random Topographical Substrates." Physical Review Letters 104(8).

Shuttle, C. G., R. Hamilton, et al. (2010). "Charge-density-based analysis of the current-voltage response of polythiophene/fullerene photovoltaic devices." Proceedings of the National Academy of Sciences of the United States of America 107(38): 16448-16452.

Stackhouse, S., L. Stixrude, et al. (2010). "Thermal Conductivity of Periclase (MgO) from First Principles." Physical Review Letters 104(20).

Such, B., T. Trevethan, et al. (2010). "Functionalized Truxenes: Adsorption and Diffusion of Single Molecules on the KBr(001) Surface." Acs Nano 4(6): 3429-3439.

Swadling, J. B., P. V. Coveney, et al. (2010). "Clay Minerals Mediate Folding and Regioselective Interactions of RNA: A Large-Scale Atomistic Simulation Study." Journal of the American Chemical Society 132(39): 13750-13764.

Tipmanee, V., H. Oberhofer, et al. (2010). "Prediction of Reorganization Free Energies for Biological Electron Transfer: A Comparative Study of Ru-Modified Cytochromes and a 4-Helix Bundle Protein." Journal of the American Chemical Society 132(47): 17032-17040.

Tomasello, G., M. J. Bearpark, et al. (2010). "Significance of a Zwitterionic State for Fulgide Photochromism: Implications for the Design of Mimics." Angewandte Chemie-International Edition 49(16): 2913-2916.

Tomba, G., M. Stengel, et al. (2010). "Supramolecular Self-Assembly Driven by Electrostatic Repulsion: The 1D Aggregation of Rubrene Pentagons on Au(111)." Acs Nano 4(12): 7545-7551.

Vaz, F., H. Hanenberg, et al. (2010). "Mutation of the RAD51C gene in a Fanconi anemia-like disorder." Nature Genetics 42(5): 406-U463.

Vitali, L., G. Levita, et al. (2010). "Portrait of the potential barrier at metal-organic nanocontacts." Nature Materials 9(4): 320-323.

Walker, A. M., B. Civalleri, et al. (2010). "Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)." Angewandte Chemie-International Edition 49(41): 7501-7503.

Wang, H., S. Mauthoor, et al. (2010). "Ultra long Copper Phthalocyanine Nanowires with New Crystal Structure and Broad Optical Absorption." Acs Nano 4(7): 3921-3926.

Watkins, M. and A. L. Shluger (2010). "Mechanism of Contrast Formation in Atomic Force Microscopy in Water." Physical Review Letters 105(19).

Watkins, M., J. VandeVondele, et al. (2010). "Point defects at the ice (0001) surface." Proceedings of the National Academy of Sciences of the United States of America 107(28): 12429-12434.

Xu, W., J.-g. Wang, et al. (2010). "Supramolecular Porous Network Formed by Molecular Recognition between Chemically Modified Nucleobases Guanine and Cytosine." Angewandte Chemie-International Edition 49(49): 9373-9377.

Ye, F., D. Mihalache, et al. (2010). "Subwavelength Plasmonic Lattice Solitons in Arrays of Metallic Nanowires." Physical Review Letters 104(10).

Zhang, C., A. Michaelides, et al. (2010). "Positive Charge States and Possible Polymorphism of Gold Nanoclusters on Reduced Ceria." Journal of the American Chemical Society 132(7): 2175-2182.

Zhang, K. H. L., A. Walsh, et al. (2010). "Surface Energies Control the Self-Organization of Oriented In2O3 Nanostructures on Cubic Zirconia." Nano Letters 10(9): 3740-3746.


2009 Publications

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Barrett, A. G. M., C. Brinkmann, et al. (2009). "Heavier Group 2 Metals and Intermolecular Hydroamination: A Computational and Synthetic Assessment." Journal of the American Chemical Society 131(36): 12906-+.

Bhaseen, M. J., M. Hohenadler, et al. (2009). "Polaritons and pairing phenomena in Bose-Hubbard mixtures." Physical Review Letters 102(13): 135301-135301.

Bhaseen, M. J., A. O. Silver, et al. (2009). "Feshbach resonance in optical lattices and the quantum Ising model." Physical Review Letters 103(26): 265302-265302.

Bramwell, S. T. (2009). "The distribution of spatially averaged critical properties." Nature Physics 5(6): 443-447.

Bramwell, S. T., S. R. Giblin, et al. (2009). "Measurement of the charge and current of magnetic monopoles in spin ice." Nature 461(7266): 956-U211.

Carrasco, J., A. Michaelides, et al. (2009). "A one-dimensional ice structure built from pentagons." Nature Materials 8(5): 427-431.

Duffy, D. M. (2009). "Modeling plasma facing materials for fusion power." Materials Today 12(11): 38-44

Duprat, C., F. Giorgiutti-Dauphine, et al. (2009). "Liquid Film Coating a Fiber as a Model System for the Formation of Bound States in Active Dispersive-Dissipative Nonlinear Media." Physical Review Letters 103(23).

Fennell, T., P. P. Deen, et al. (2009). "Magnetic Coulomb Phase in the Spin Ice Ho2Ti2O7." Science 326(5951): 415-417.

Fortes, A. D., E. Suard, et al. (2009). "Crystal Structure of Ammonia Monohydrate Phase II." Journal of the American Chemical Society 131(37): 13508-13515.

Furini, S. and C. Domene (2009). "Atypical mechanism of conduction in potassium channels." Proceedings of the National Academy of Sciences of the United States of America 106(38): 16074-16077.

Ge, L., J. H. Jefferson, et al. (2009). "Effects of Doping on Electronic Structure and Correlations in Carbon Peapods." Acs Nano 3(5): 1069-1076.

Gomez-Hortigueela, L., S. Hamad, et al. (2009). "Molecular Insights into the Self-Aggregation of Aromatic Molecules in the Synthesis of Nanoporous Aluminophosphates: A Multilevel Approach." Journal of the American Chemical Society 131(45): 16509-16524.

He, Y., A. Tilocca, et al. (2009). "Local ordering and electronic signatures of submonolayer water on anatase TiO2(101)." Nature Materials 8(7): 585-589.

Hunt, S. A., D. J. Weidner, et al. (2009). "Weakening of calcium iridate during its transformation from perovskite to post-perovskite." Nature Geoscience 2(11): 794-797.

Kim, Y., J. Nelson, et al. (2009). "Distorted Asymmetric Cubic Nanostructure of Soluble Fullerene Crystals in Efficient Polymer:Fullerene Solar Cells." Acs Nano 3(9): 2557-2562.

Kocaman, S., R. Chatterjee, et al. (2009). "Observation of Zeroth-Order Band Gaps in Negative-Refraction Photonic Crystal Superlattices at Near-Infrared Frequencies." Physical Review Letters 102(20).

Kwiatkowski, J. J., J. M. Frost, et al. (2009). "The Effect of Morphology on Electron Field-Effect Mobility in Disordered C60 Thin Films." Nano Letters 9(3): 1085-1090.

Lacovig, P., M. Pozzo, et al. (2009). "Growth of Dome-Shaped Carbon Nanoislands on Ir(111): The Intermediate between Carbidic Clusters and Quasi-Free-Standing Graphene." Physical Review Letters 103(16).

Marleny Rodriguez-Albelo, L., A. Rabdel Ruiz-Salvador, et al. (2009). "Zeolitic Polyoxometalate-Based Metal-Organic Frameworks (Z-POMOFs): Computational Evaluation of Hypothetical Polymorphs and the Successful Targeted Synthesis of the Redox-Active Z-POMOF1." Journal of the American Chemical Society 131(44): 16078-16087.

Mehlhorn, M., J. Carrasco, et al. (2009). "Local Investigation of Femtosecond Laser Induced Dynamics of Water Nanoclusters on Cu(111)." Physical Review Letters 103(2).

Shafir, D., S. Novotny, et al. (2009). "Rotational Cooling of HD+ Molecular Ions by Superelastic Collisions with Electrons." Physical Review Letters 102(22).

Sola, E. and D. Alfe (2009). "Melting of Iron under Earth's Core Conditions from Diffusion Monte Carlo Free Energy Calculations." Physical Review Letters 103(7).

Sushko, M. L. and A. L. Shluger (2009). "Rough and Fine Tuning of Metal Work Function via Chemisorbed Self-Assembled Monolayers." Advanced Materials 21(10-11): 1111-1114.

Svanstrom, C. M. B., J. Rysz, et al. (2009). "Device Performance of APFO-3/PCBM Solar Cells with Controlled Morphology." Advanced Materials 21(43): 4398-+.

Tomba, G., L. C. Ciacchi, et al. (2009). "Atomic-Level Studies of Molecular Self-Assembly on Metallic Surfaces." Advanced Materials 21(10-11): 1055-1066.

Warner, J. H., M. H. Ruemmeli, et al. (2009). "Structural transformations in graphene studied with high spatial and temporal resolution." Nature Nanotechnology 4(8): 500-504.

Yang, S. Y., K. M. Sales, et al. (2009). "Apoptosis and colorectal cancer: implications for therapy." Trends in Molecular Medicine 15(5): 225-233.


2008 Publications

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Bailey, A. J., C. Lee, et al. (2008). "Comparison of Chiral and Racemic Forms of Zinc Cyclohexane trans-1,2-Dicarboxylate Frameworks: A Structural, Computational, and Calorimetric Study." Angewandte Chemie-International Edition 47(45): 8634-8637.

Bresme, F., E. Chacon, et al. (2008). "Intrinsic structure of hydrophobic surfaces: The oil-water interface." Physical Review Letters 101(5).

Bresme, F., A. Lervik, et al. (2008). "Water polarization under thermal gradients." Physical Review Letters 101(2): 020602-020602.

Campoy-Quiles, M., T. Ferenczi, et al. (2008). "Morphology evolution via self-organization and lateral and vertical diffusion in polymer: fullerene solar cell blends." Nature Materials 7(2): 158-164.

Chatterjee, R., N. C. Panoiu, et al. (2008). "Achieving subdiffraction imaging through bound surface states in negative refraction photonic crystals in the near-infrared range." Physical Review Letters 100(18).

Cuetos, A., A. Galindo, et al. (2008). "Thermotropic Biaxial Liquid Crystalline Phases in a Mixture of Attractive Uniaxial Rod and Disk Particles." Physical Review Letters 101(23).

De Simone, A., J. E. T. Corrie, et al. (2008). "Conformation and Dynamics of a Rhodamine Probe Attached at Two Sites on a Protein: Implications for Molecular Structure Determination in situ." Journal of the American Chemical Society 130(50): 17120-17128.

Dickson, W., G. A. Wurtz, et al. (2008). "Electronically controlled surface plasmon dispersion and optical transmission through metallic hole arrays using liquid crystal." Nano Letters 8(1): 281-286.

Dudarev, S. L., R. Bullough, et al. (2008). "Effect of the alpha-gamma phase transition on the stability of dislocation loops in bcc iron." Physical Review Letters 100(13).

Gawronski, H., J. Carrasco, et al. (2008). "Manipulation and control of hydrogen bond dynamics in absorbed ice nanoclusters." Physical Review Letters 101(13).

Giblin, S. R., J. D. M. Champion, et al. (2008). "Static Magnetic Order in Tb(2)Sn(2)O(7) Revealed by Muon Spin Relaxation with Exterior Muon Implantation." Physical Review Letters 101(23).

Gomez-Hortigueela, L., F. Lopez-Arbeloa, et al. (2008). "Supramolecular chemistry in the structure direction of microporous materials from aromatic structure-directing agents." Journal of the American Chemical Society 130(40): 13274-13284.

Greaves, G. N., C. R. A. Catlow, et al. (2008). "Two million hours of science." Nature Materials 7(11): 827-830.

Halmova, G. and J. Tennyson (2008). "Resonances in electron-impact electron detachment of C-2(-)." Physical Review Letters 100(21).

Kermode, J. R., T. Albaret, et al. (2008). "Low-speed fracture instabilities in a brittle crystal." Nature 455(7217): 1224-U1241.

Levita, G., L. Petaccia, et al. (2008). "A Spectroscopic and ab Initio Study of the Formation of Graphite and Carbon Nanotubes from Thermal Decomposition of Silicon Carbide." Nano Letters 8(12): 4335-4341.

Liu, L., M. Krack, et al. (2008). "Density oscillations in a nanoscale water film on salt: Insight from ab initio molecular dynamics." Journal of the American Chemical Society 130(27): 8572-+.

Lovell, A., F. Fernandez-Alonso, et al. (2008). "Quantum delocalization of molecular hydrogen in alkali-graphite intercalates." Physical Review Letters 101(12).

Mamdouh, W., R. E. A. Kelly, et al. (2008). "Two-dimensional supramolecular nanopatterns formed by the coadsorption of guanine and uracil at the liquid/solid interface." Journal of the American Chemical Society 130(2): 695-702.

McKenna, K. P. and A. L. Shluger (2008). "Electron-trapping polycrystalline materials with negative electron affinity." Nature Materials 7(11): 859-862.

Miodownik, M. (2008). "Super sponge." Materials Today 11(9): 6-6.

Miodownik, M. (2008). "The taste of a spoon." Materials Today 11(6): 6-6.

Miodownik, M. (2008). "Fleshing out an argument." Materials Today 11(4): 6-6.

Miodownik, M. (2008). "The Time For Thermochromics." Materials Today 11(11): 6-6.

Mookherjee, M., L. Stixrude, et al. (2008). "Hydrous silicate melt at high pressure." Nature 452(7190): 983-986.

Mueller, C., T. A. M. Ferenczi, et al. (2008). "Binary organic photovoltaic blends: A simple rationale for optimum compositions." Advanced Materials 20(18): 3510-+.

Ohkita, H., S. Cook, et al. (2008). "Charge carrier formation in polythiophene/fullerene blend films studied by transient absorption spectroscopy." Journal of the American Chemical Society 130(10): 3030-3042.

Otero, R., M. Lukas, et al. (2008). "Elementary structural motifs in a random network of cytosine adsorbed on a gold(111) surface." Science 319(5861): 312-315.

Otero, R., W. Xu, et al. (2008). "Specificity of Watson-Crick Base Pairing on a Solid Surface Studied at the Atomic Scale." Angewandte Chemie-International Edition 47(50): 9673-9676.

Pan, D., L.-M. Liu, et al. (2008). "Surface Energy and Surface Proton Order of Ice Ih." Physical Review Letters 101(15).

Rashid, S. T., B. Fuller, et al. (2008). "Tissue engineering of a hybrid bypass graft for coronary and lower limb bypass surgery." Faseb Journal 22(6): 2084-2089.

Salles, F., A. Ghoufi, et al. (2008). "Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2 Adsorption." Angewandte Chemie-International Edition 47(44): 8487-8491.

Stixrude, L. and R. Jeanloz (2008). "Fluid helium at conditions of giant planetary interiors." Proceedings of the National Academy of Sciences of the United States of America 105(32): 11071-11075.

Stoica, I., S. K. Sadiq, et al. (2008). "Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases." Journal of the American Chemical Society 130(8): 2639-2648.

Sushko, M. L., J. H. Harding, et al. (2008). "Physics of Nanomechanical Biosensing on Cantilever Arrays." Advanced Materials 20(20): 3848-+.

Tame, M. S., C. Lee, et al. (2008). "Single-photon excitation of surface plasmon polaritons." Physical Review Letters 101(19): 190504-190504.

Tang, L., L. Shi, et al. (2008). "A zeolite family with chiral and achiral structures built from the same building layer." Nature Materials 7(5): 381-385.

Thyveetil, M.-A., P. V. Coveney, et al. (2008). "Role of host layer flexibility in DNA guest intercalation revealed by computer simulation of layered nanomaterials." Journal of the American Chemical Society 130(37): 12485-12495.

Thyveetil, M.-A., P. V. Coveney, et al. (2008). "Computer simulation study of the structural stability and materials properties of DNA-intercalated layered double hydroxides." Journal of the American Chemical Society 130(14): 4742-4756.

Warner, J. H., A. A. R. Watt, et al. (2008). "Dynamics of paramagnetic metallofullerenes in carbon nanotube peapods." Nano Letters 8(4): 1005-1010.

Yavors'kii, T., T. Fennell, et al. (2008). "Dy2Ti2O7 spin ice: A test case for emergent clusters in a frustrated magnet." Physical Review Letters 101(3).

Zwijnenburg, M. A., F. Cora, et al. (2008). "Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: Energy landscape of crystalline BeF(2), BeCl(2), SiO(2), and SiS(2)." Journal of the American Chemical Society 130(33): 11082-11087.

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