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
TYC Symposium: Modelling Phonons in Materials
XLG1 Lecture Theatre, Christopher Ingold Building 20 Gordon Street, LondonThe (other) big bang theory: understanding impact sensitivities of energetic materials - Carole Morrison, University of Edinburgh
A dynamical view of mechanochemical reactions - Adam Michalchuk, University of Birmingham
Understanding and controlling the heat transport in thermoelectric materials - Jonathan Skelton, University of Manchester
TYC Highlight Seminar: Electron and Energy Transfer in Molecules and Materials – Troy Van Voorhis, MIT
Bentham House LG17 Lecture Room, 4-8 Endsleigh Gardens, London WC1H 0EG
TYC Biological and Soft Matter Interest Group Seminar
Birkbeck Malet Street 351
Deep Learning of G-Quadruplexes - Shozeb Haider, UCL
Dynamics of binding pockets in proteins - Arianna Fornili, QMUL
TYC Early Career Forum: Catalytic properties of transition metal carbides
Catalytic properties of transition metal carbides - Hector Prats Garcia, UCL
TYC Early Career Forum: Career Focus Series
Dr. Enrico Berardo from Ab Initio Software Ltd.