Materials Theory Group

Welcome to the Materials Theory Group. We aim to understand and discover novel materials across a wide range of conditions and applications from superconductors to minerals on Mars.

Two Dimensional Ice from First Principles: Structures and Phase Transitions
Materials Discovery

Find out what the MTG have been working on recently
Code
Codes

View and download the codes developed within the group
Members of the MTG

See the list of current group members and read about how to join us.

News

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4 Aug 2026

Maélie Caussé at the 4th High-Pressure Single-Crystal X-Ray Diffraction Summer School

SCXRD

3 Aug 2026

MTG at the Research at High Pressure Gordon Research Conference 2026

MTG GRC

26 Jun 2026

Dr. Peter Cooke - Invited Lecturer at CSP2A workshop

Pete

26 Jun 2026

Kieran Bozier - Invited seminar at University of Linköping

kieran

25 Jun 2026

Joint ICTP MARVEL College: Materials simulations in the age of AI

will

25 Jun 2026

Invited speakers at the CECAM Flagship Workshop

Bartomeu