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"
TYC Journal Club: Moiré materials and flat bands: the case of twisted transition metal dichalcogenides bilayers
Valerio Vitale, Imperial College London
New catalytic mechanisms in carbohydrate-active enzymes (CAZymes) unveiled by computer simulation
Professor Carme RoviraDepartment of Inorganic and Organic Chemistry & Institute of Computational and Theoretical Chemistry (IQTCUB), University of Barcelona Join the Seminar here Abstract: Carbohydrate-active enzymes (CAZymes), such as glycoside hydrolases and glycosyltransferases, constitute the main machinery for the degradation, synthesis and modification of carbohydrates in nature. They have a myriad of industrial and biotechnological […]