MSSC2021@London – Virtual Ab initio Modelling in Solid State Chemistry
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 Centre at Imperial College London and the Theoretical Chemistry Group of the University of Torino, in collaboration with the Computational Materials Science Group of the […]
CECAM Psi-k Research Conference on New Horizons in Nucleation: a playground classical and ab initio simulation methods
https://www.cecam.org/workshop-details/7#program-7 Nucleation from liquids is a phenomenon encountered in countless natural and industrial processes. Nucleation is the initial step in the formation of a new, usually thermodynamically stable phase, from a parent, metastable phase. Phenomena that range from the formation of ice particles in the atmosphere, to the obstruction of oil pipelines by gas hydrates, […]
TYC Student Welcome Event 2021
AirmeetThe 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 to hear about the fantastic benefits of being affiliated to this active and exciting institute. We will hear from our Interest Group Leaders about the […]
TYC 15th Anniversary Event
Queen's Tower Rooms, Imperial College London 7 Imperial College Road, South KensingtonThe 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 theory and simulation of materials and molecules, or materials and molecular modelling. The TYC is made up of around 100 research groups from four London […]
Mini symposium: Beyond density functional theory for predictive excitations
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 to reasonable accuracy, it will often more qualitatively fail in its description of these excitations, and therefore methodological development which can go beyond DFT is […]
TYC Highlight Seminar: Intranuclear phase separation, and its role in transcription and gene regulation
avide Marenduzzo, University of Edinburgh The recording of the seminar can be found here Abstract: Microscopy studies suggest that chromatin and its associated proteins often form phase separated droplets within the nucleus of eukaryotic organisms. I will describe some possible biophysical mechanisms underlying such intranuclear phase separation and microphase separation (arrested phase separation resulting in […]
TYC Highlight Seminar: Jonathan Yates, University of Oxford
OnlineAtomic Espionage: Understanding the structure of materials using Computational and Experimental NMR
TYC Symposium: Modelling of Materials for Quantum Technologies
OnlinePhotoionization 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
MMM Hub Software Spotlight event: CP2K
OnlineA (virtual) presentation on CP2K, its functionality, and how it is tied to real research.
TYC Soiree: Modelling mineralization process
OnlineAtomistic 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
TYC Seminar: Interpreting experiments using simulations and using experiments to improve simulations of intrinsically-disordered proteins
Kresten Lindorff-Larsen - University of Copenhagen
TYC Lunchtime Seminar: Structural origins of the low-temperature orthorhombic-to-tetragonal phase transition in high-Tc cuprates
OnlineChristopher Keegan, Department of Materials