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Upcoming Thomas Young Centre events in April and ... (No replies)

TYCADMIN
2 years ago
TYCADMIN 2 years ago

April 2023  

Fri 21 April, 2:00 pm - 5:00 pm
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

Tue 25 April, 1:00 pm - 2:15 pm
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

Thu 27 April, 2:00 pm - 5:00 pm
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

May 2023

Tue 2 May, 1:00 pm - 3:00 pm
TYC Early Career Researchers’ Forum: Mustafa Abbas
Mustafa Abbas, visitor to Alex Shluger and Sir Richard Catlow, talking about the challenges of research at his university in Sudan
Venue: UCL Physics E3/7

Thu 4 May, 4:00 pm - 6:00 pm
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

Fri 12 May, 10:00 am - 12:00 pm
Theory and Machine Learning for Crystal Growth lecture (1/3)
Prof. Akira Kusaba from Kyushu University, Japan

Fri 19 May, 10:00 am - 12:00 pm
Theory and Machine Learning for Crystal Growth lecture (2/3)
Prof. Akira Kusaba from Kyushu University, Japan

Thu 25 May, 10:00 am - 6:00 pm
TYC Postgraduate Student Day 2023
Venue: Jeremy Bentham Room, Wilkins Building, University College London
Abstract submission deadline: 25 April 2023

Fri 26 May @ 10:00 am - 12:00 pm
Theory and Machine Learning for Crystal Growth lecture (3/3)
Prof. Akira Kusaba from Kyushu


The Thomas Young Centre remains a renowned London-based interdisciplinary research network which brings together a range of groups across the capital whose research involves materials and molecular modelling and theoretical chemistry.




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Ab initio (from electronic structure) calculation of complex processes in materials