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London Centre for Theory and Simulation of Materials
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About the TYC
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STM and DFT calculations together probe the nano-contact between a single molecule and a metal electrode: L. Vitali, G. Levita, R. Ohmann, A Comisso, A. De Vita and K. Kern, Nature Materials Letter, online publication 25/01/2010.
Science Highlights
Local work-function portrait of a metal-organic nano-contact
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Events
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Workshop29 - 30 April 2010This two day meeting brings together computer modellers and experimentalists to discuss problems at the biological interface, and their relevance to understanding important biological systems and bio-inspired materials. Many aspects of such work will be discussed, including theory, modelling tools, numerical methods and applications. We are hoping to foster participation from both the public and commercial health sectors.
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Highlight SeminarThursday 11th March 2010Prof Mark Sansom (University of Oxford)
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Highlight SeminarThursday 25th March 2010Prof. Mike Payne, FRS (Univ of Cambridge)
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SoireeThursday 22nd April 2010
Prof. Richard Needs (Univ. of Cambridge)
Continuum quantum Monte Carlo calculations
Prof. Ronald Cohen (Carnegie Institute, Washington)
Theory of Materials at High Pressures Beyond Band Theory
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Highlight SeminarThursday 20th May 2010Professor Martin Karplus (Harvard University)