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 LondonPushing 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
MMM Hub Software Spotlight – VASP (Vienna ab initio simulation package)
Showcasing the capabilities of VASP package from a research perspective
TYC Highlight Seminar: A Tale of Two Particles: Hot-carrier transfer and Designing of Alloy Nanostructures for Optical Sensing
Professor Paul Erhart, Chalmers University of Technology
SAFB G34 plus the mezzanine on Level 1 Alexander Fleming, Imperial College London
Evolution of Free-Energy Calculations for Drug Discovery
William L. Jorgensen, Yale University
Christopher Ingold Building, XLG1 Lecture Theatre
Thomas Young Centre Early Career Award Symposium
Imperial College LondonB10 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
TYC Festive Gathering
Register to attend!
TYC 6th Energy Materials workshop: Modelling Energy Interfaces
The Thomas Young Centre for the theory and simulation of materials and molecules in London is organising the TYC 6th Energy Materials workshop with focus on modelling energy interfaces. The workshop will feature a range of invited talks as well as oral presentations and posters.
In addition to invited talks, we invite applications for contributed talks (20 + 5 minutes).
Enhanced Sampling Methods Workshop
Enhanced Sampling Simulation Methods for Thermodynamics, Kinetics, and Pathways
Machine Learning for Materials: Data-driven materials design (2.0)
G20, Royal School of Mines, Imperial College London
MMM Hub Software Spotlight – LAMMPS
Showcasing the capabilities of the LAMMPS package from a research perspective