Directory | Materials Theory Group

Professor Bartomeu Monserrat

Gianna Angelopoulos Lecturer in Computational Materials Science

bm418@cam.ac.uk

Professor Chris J Pickard

Sir Alan Cottrell Professor of Materials Science

+44 (0)1223 334338

cjp20@cam.ac.uk

Dr Maelie Causse

Postdoctoral Research Associate

mc2552@cam.ac.uk

Dr Siyu Chen

Postdoctoral Research Associate

sc2090@cam.ac.uk

Dr Lewis Conway

Postdoctoral Research Associate

ljc83@cam.ac.uk

Dr Peter Cooke

Postdoctoral Research Associate

pc729@cam.ac.uk

Ms Nichola Daily

Group Secretary, Administration

nd241@cam.ac.uk

Pascal Salzbrenner

Postdoctoral Research Associate

pts28@cam.ac.uk

Arjun Ashoka

PhD student, Gates Scholar and Winton Scholar

aa2066@cam.ac.uk

Bo Peng

PhD student, Winton Scholar

bp432@cam.ac.uk

Associate Professor Kazuto Akagi

Associate Professor, Materials Physics Group, M. Kotani Laboratory

akagi@wpi-aimr.tohoku.ac.jp

Alan Bowman

PhD student, Winton Scholar

arb83@cam.ac.uk

Ivona Bravić

PhD student

+44(0)1223 3 36073

ib376@cam.ac.uk

Dr Kapildeb Dolui

Postdoctoral Research Associate

kd524@cam.ac.uk

Prof Defang Duan

Associate Professor of Jilin University

dd515@cam.ac.uk

Yuchen Hu

PhD student, EPSRC and Trinity Henry-Barlow Scholarship

yh386@cam.ac.uk

Dr Se Hun Joo

Postdoctoral Research Associate

shj29@cam.ac.uk

Gunnar Lange

PhD student, Aker Scholar

gfl25@cam.ac.uk

Dr Yun Liu

Postdoctoral Research Associate

yl398@cam.ac.uk

Dr. Hisao Nakamura

Senior Research Scientist, Research Center for Computational Design of Advanced Functional Materials, AIST, Japan

+44 (0)1223 334335

hn302@cam.ac.uk

Dr Joseph Nelson

Postdoctoral Research Associate

AIMR Joint Centre Scientist

Postdoctoral By-Fellow, Churchill College

+44 (0)1223 334335

Dr Georg Schusteritsch

Postdoctoral Research Associate

+44 (0)1223 334335

gs550@cam.ac.uk

Ben Shires

PhD student, EPSRC CDT in Computational Methods in Materials Science

+44 (0)1223 334335

bs511@cam.ac.uk

Dr W. Chuck Witt

Junior Research Fellow (Christ's College)

Schmidt Science Fellow

wcw28@cam.ac.uk

Latest news

Successful Gordon Research Conference on Materials at High Pressure

27 September 2024

The Materials Theory Group was well represented at the Gordon Research at High Pressure Conference in Holderness, New Hampshire, from 14-19 July. This year, the conference was chaired by our group leader, Prof. Chris Pickard...

Predicting a potentially synthesisable ambient-pressure high-Tc superconducting hydride

10 May 2024

Superconductors are a class of materials which show zero resistance and the expulsion of magnetic fields below a critical temperature, T c . These materials have a wide range of applications, including fusion reactors where...

Fast and easy exploration of crystal properties using machine-learned Ephemeral Data-derived Potentials

12 January 2024

Machine learning is quickly gaining prominence in the field of computational materials science. In the Materials Theory Group, we develop so-called ‘machine learned interatomic potentials’ (MLIPs), which can describe the...

Structure and colour in nitrogen-doped lutetium hydride

19 December 2023

Superconducting materials have a wide range of applications - from efficient power transmission to the advanced electromagnetics used in MRI machines - due to their loss-free conductivity. Current practical superconductors...

Quantum-induced hydrogen hopping in high-temperature superconducting lanthanum polyhydride

14 April 2023

Figure caption : Quantum effects are essential for hydrogen to dynamically explore different configurations. On the left, we see how the hydrogen atoms cover much larger distances at all temperatures when quantum effects are...

Flat water and ice

26 September 2022

Figure Caption : Pentagonal ice – a two-dimensional form of ice predicted to form when water is squeezed between graphene sheets. Water can be found trapped in nanoscale cavities, for example in biological membranes, or in...

Congratulations Ben Shires!

2 August 2022

Ben completed his PhD viva last week, covering his work on SHEAP , and he will soon be Dr Shires. Congratulations! shires.jpg

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