This virtual conference brings together researchers working in all aspects of theory and simulation of materials and molecular systems and is jointly organised by the UK’s Materials and Molecular Modelling […]

Virtual Edition (New Users) Discovering quantum-mechanical simulations with CRYSTAL Directors: S. Casassa - A. Erba - N.M. Harrison - G. Mallia https://www.imperial.ac.uk/mssc/mssc2021/ The Department of Chemistry and the Thomas Young […]

The TYC is looking forward to welcoming new PhD students to our centre, from across the four London colleges.  It is a brilliant opportunity to meet your peers (virtually), and […]

The Thomas Young Centre (TYC) is a dynamic and interdisciplinary alliance of London researchers operating at the forefront of science to address the challenges of society and industry through the […]

A description of the electronic excitations in materials and molecules is central to understanding the key optical, transport and reactive properties. While density functional theory often describes ground state energetics […]

Atomic Espionage: Understanding the structure of materials using Computational and Experimental NMR

Photoionization and vibronic properties of isolated colour centres in diamond from first principles-calculations - Audrius Alkauskas, FTMC Lithuania ~

Deterministically implanted defects in semiconductors for quantum gates and quantum simulation - Andrew Fisher, UCL ~

Theoretical magneto-optical spectroscopy for solid state defect quantum bits - Adam Gali, Budapest

A (virtual) presentation on CP2K, its functionality, and how it is tied to real research.

Atomistic simulations of ion-association, surface adsorption and mineral dissolution processes; pitfalls and successes - Paolo Raiter - Curtin

How minerals grow and dissolve: insights from simulations and experiments - Mariette Wolthers - Utrecht

Kresten Lindorff-Larsen - University of Copenhagen