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
TYC Journal Club: Controlling the bias in electrochemical systems by means of hair probes methodology
Controlling the bias in electrochemical systems by means of hair probes methodology
TYC Distinguished Speaker Symposium: Modelling Surfaces & Catalysis
XLG1 Lecture Theatre, Christopher Ingold Building 20 Gordon Street, LondonProfessor Joachim Sauer - Humboldt University of BerlinNext Generation Quantum Chemistry of Water in Acidic Zeolites
Professor Adrian Mulholland - University of Bristol
Multiscale modelling of biocatalysts for enzyme design, evolution and engineering
Thomas Keal - Science and Technology Facilities Council (STFC)
Recent developments in QM/MM modelling with ChemShell
Dr Edina Rosta - University College London
Dynamics, function and mechanism of phosphate processing enzymes
MMM Hub: HPE / NVIDIA GPU Training Day
"Tools and techniques to port codes on GPU" & "Experience from popular GPU-accelerated material science codes"