14 December 2026 @ 9:30 am – 15 December 2026 @ 5:30 pm

To mark the Thomas Young Centre turning 20, we will be hosting a 2-day symposium,  celebrating 20 years of cutting-edge research in the theory and simulation of materials and molecules at University College London, Imperial College London, King’s College London, Queen Mary University of London and their international collaborators.

This scientific symposium will cover cutting-edge research in 5 sessions dedicated to Electronic Structure Theory, Machine Learning, Functional Materials, Biomaterials and Perspectives on Materials Modelling. A separate session will be devoted to discussions about the future of theory and simulation of materials and molecules with the aim of developing a future Roadmap of Materials Modelling that identifies and articulates the most important challenges in this field over the next 10 years, broad strategies for how they will be overcome, and the likely impact of success in overcoming them for science and industry. 

Confirmed Invited Speakers:

Electronic structure

Andreas GrüneisTU Wien
Paola Gori-Giorgi, Microsoft ResearchSkala: A Deep-Learning Route to Predictive Density Functional Theory
Lucia Reining
Ecole Polytechnique
Design of functionals: needs, news and thoughts

Machine Learning

Klaus-Robert Mueller
TU Berlin
AI for the Sciences – Toward understanding
Keith Butler
University College London
Machine learning for materials science; a bittersweet lesson

Biomaterials

Frank NoeMicrosoft Corporation
Modesto OrozcoInstitute for Research in Biomedicine Barcelona
Dominique Hoogland
King’s College London
Atomistic insights in to drug-lipid interactions

Functional Materials

Karsten Reuter
Fritz Haber Institut, Berlin
Embrace the Mess:
Towards the Modeling of Disordered Catalyst Surfaces
Giulia Galli
The University of Chicago
Materials for quantum technologies: the virtue of defects
Alessandro Troisi
University of Liverpool
Computations for Discovering New Functional Molecules
and Polymers
Laura GagliardiUniversity of Chicago
Clotilde CucinottaImperial College London

Perspective on Materials Modelling

Angelos Michaelides
University of Cambridge
Accurate simulations of interfaces are not easy
Nicola MarzariUniversity of Cambridge
Michele Parrinello
Italian Institute of Technology
The Material Science of Catalysis
Andrea CavalliCECAM
Gábor Csányi FRS
Max Planck Institute
ML force fields: status and some challenges


Under government regulations, we must at least provide a 14 day cancellation period for customers, from the point the booking is made.

Sponsors

CCP9 (Collaborative Computational Project for the Study of the Electronic Structure of Condensed Matter)
The London Centre for Nanotechnology
UCL Condensed Matter and Materials Physics Group
UCL Physics & Astronomy Department.

Organisers

Jochen Blumberger
Hugh Burton
Devis Di Tommaso
Jarvist Frost
Alex Ganose
Ricardo Grau-Crespo
Venkat Kapil 
Johannes Lischner
Carla Molteni
Edina Rosta
Alex Shluger
Karen Stoneham
Martijn Zwijnenburg

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