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Breakdown of phonon band theory in MgO
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Relativistic electronic structure and photovoltaic performance of K2CsSb
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Accelerating GW calculations through machine-learned dielectric matrices
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The role of copper in enhancing the performance of heteronuclear diatomic catalysts for the electrochemical CO2 conversion to C1 chemicals
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Theory of Hot-Carrier Generation in Bimetallic Plasmonic Catalysts
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Transiently delocalized states enhance hole mobility in organic molecular semiconductors
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Impact of the Interfacial Thermal Conductance on the Thermoplasmonic Response of Metal/Polymer Hybrid Nanoparticles under Nanosecond Pulsed Illumination
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Physics-informed Bayesian inference of external potentials in classical density-functional theory
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Stability and reactivity of metal nanoclusters supported on transition metal carbides
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Tuning the mechanical properties of dicyanamide-based molecular perovskites
THOMAS YOUNG CENTRE
THE LONDON CENTRE FOR THE THEORY & SIMULATION OF MATERIALS & MOLECULES
THOMAS YOUNG CENTRE
THE LONDON CENTRE FOR THE THEORY & SIMULATION OF MATERIALS & MOLECULES