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MSSC2022 – Ab initio Modelling in Solid State Chemistry

The week long school is designed for new users of CRYSTAL, PhD students, Post-Docs and researchers with interests in solid state chemistry, physics, materials science, surface science, catalysis, magnetism and nano-science.

History (and future) of modelling materials using interatomic potentials

Prof Sir Richard Catlow (UCL) - Interatomic Potentials and modelling as a tool in materials science
Prof Olivier Hardouin Duparc (Institut Polytechnique de Paris) - Interatomic potentials: Basic historical developments, with the Natural Intelligence of our brilliant predecessors
Prof Sally Price (UCL) - Interatomic potentials for modelling the intermolecular forces between organic molecules, pharmaceuticals and biomolecules

Latest Developments in Density Functional Methodology Symposium

King's College London

Pushing the frontiers of density functional theory using machine learning - Aron Cohen, Google Deepmind
Smooth(er) meta-generalised gradient approximation functionals: design and applications in condensed systems - Albert Bartok-Partay, Warwick
The ABC… of extended DFT - Andrew Teale, University of Nottingham

Thomas Young Centre Early Career Award Symposium

Imperial College London

B10 MRSH Building, White City Campus, Imperial College London

Christoph Schran, Cambridge - Understanding complex aqueous systems with machine learning

Zsuzsanna Koczor-Benda, UCL - Computational molecular design for terahertz detection and surface-enhanced applications

Romain Reocreux, UCL - What makes Single-Atom Alloys so Special? Active Site Miniaturisation for Boosted Catalytic Performance