TYC Early Career Forum: Career Focus Series
Dr. Enrico Berardo from Ab Initio Software Ltd.
TYC Early Career Researchers’ Forum: Career Focus Series
Dr. Giulia Pacchioni, Nature Review Materials
Venue: Nyholm Room, UCL Chemistry Christopher Ingold Building
TYC Highlight Seminar: Atomic-scale machine learning: what do models compute?
Michele Ceriotti, EPFL
Venue: B10, Molecular Sciences Research Hub, Imperial College London, White City Campus
TYC Symposium: The large system limit: How big can we go in our simulations…?
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
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
Registration: https://www.eventbrite.com/e/data-driven-materials-design-with-volker-deringer-tickets-592291207947
MMM Hub Software Spotlight: Chemshell
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.
Venue: ONLINE
https://ucl.zoom.us/j/99746496587?pwd=UUJHeFBzU3p1a0crTEh2T1lrNUFrUT09
Passcode: TYCSWS
TYC Inaugural Lecture: Thomas Keal – Scaling up computational chemistry: from small molecules to complex systems
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
TYC Early Career Researchers’ Forum: Mustafa Abbas
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
TYC Highlight Seminar: The Molecular Simulation Design Framework (MoSDeF): Capabilities and Applications
Peter Cummings, Heriot-Watt University
Venue: G20, Department of Materials, Imperial College London
Theory and Machine Learning for Crystal Growth lecture (1/3)
Prof. Akira Kusaba from Kyushu University, Japan
Theory and Machine Learning for Crystal Growth lecture (2/3)
Prof. Akira Kusaba from Kyushu University, Japan
TYC Postgraduate Student Day 2023
Venue: Jeremy Bentham Room, Wilkins Building, University College London