Wednesday 22 March @ 11:00 am- 12:50 pm

TYC Early Career Researchers' Forum: Career Focus Series

Dr. Giulia Pacchioni, Nature Review Materials 

Venue: Nyholm Room, UCL Chemistry Christopher Ingold Building

Thursday 23 March @ 12:00 pm- 2:00 pm

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

Thursday 13 April @ 3:00 pm- 5:00 pm

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

Friday 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.co.uk/e/data-driven-materials-design-with-volker-deringer-tickets-557791769197

Tuesday 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.

ONLINE

Thursday 27 April @ 2:00 pm- 5:00 pm

TYC Inaugural Lecture: Thomas Keal

Michael Buehl, St Andrews - Enzymology in silico

Kakali Sen, STFC

Xingfan Zhang, UCL

Keith Butler, QMUL

Thomas Keal, STFC/UCL

Venue: Ramsay Lecture Theatre, Christopher Ingold Building

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.