The (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
Bentham House LG17 Lecture Room, 4-8 Endsleigh Gardens, London WC1H 0EG
Birkbeck Malet Street 351
Deep Learning of G-Quadruplexes - Shozeb Haider, UCL
Dynamics of binding pockets in proteins - Arianna Fornili, QMUL
Catalytic properties of transition metal carbides - Hector Prats Garcia, UCL
Dr. Enrico Berardo from Ab Initio Software Ltd.
Dr. Giulia Pacchioni, Nature Review Materials
Venue: Nyholm Room, UCL Chemistry Christopher Ingold Building
Michele Ceriotti, EPFL
Venue: B10, Molecular Sciences Research Hub, Imperial College London, White City Campus
Large-scale and linear scaling DFT: why we need it, and how we do it - David Bowler, UCL
Atomistic simulations of materials with billions of atomic orbitals - Aires Ferreira, York
Simulating Thousands of Atoms using Linear Scaling BigDFT - Laura Ratcliff, Bristol
Venue: River Room, King's College London, Strand, London WC2R 2LS
Data driven materials design is a series of seminars showcasing the latest in machine learning an informatics techniques applied to materials simulation.
Volker Deringer – Oxford
Xia Liang – Imperial
Philipp Schienbein - UCL
Venue: DERI - Digital Environment Research Institute, 67 New Road, London, E1 1HH
To coincide with Thomas Keal’s Inagural Lecture on 27th April 2023, You Lu from STFC has been invited to showcase the capabilities of the ChemShell package from a research perspective, as well as spending time looking at exactly how the code can be efficiently run in practice – in particular multinode jobs on Young.
Michael Buehl, St Andrews - Enzymology in silico
Kakali Sen, STFC - Modelling enzyme reactivity with QM/MM simulations
Xingfan Zhang, UCL - Combining QM/MM with other Theoretical Approaches for A Comprehensive Understanding of CeO2
Keith Butler, QMUL - Scratching the surface: atomistic modelling, chemical heuristics and machine learning for designing interfaces in energy materials
Thomas Keal, STFC/UCL - Scaling up computational chemistry: from small molecules to complex systems
Venue: Ramsay Lecture Theatre, Christopher Ingold Building
Mustafa Abbas, visitor of Alex Shluger and Sir Richard Catlow, talking about the challenges of research at his university in Sudan.
Venue: UCL Physics E3/7