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Materials Theory Group

 

Faculty

Dr Bartomeu  Monserrat
Gianna Angelopoulos Lecturer in Computational Materials Science
Professor Chris J Pickard
Sir Alan Cottrell Professor of Materials Science
+44 (0)1223 334338

Staff

Maelie Causse
Postdoctoral Research Associate
 Siyu  Chen
Postdoctoral Research Associate
Postdoctoral Research Associate
Ms Nichola  Daily
Group Secretary, Administration
PDRA in the Material Theory Group

Graduate Students

Visitors

Associate Professor Kazuto  Akagi
Associate Professor, Materials Physics Group, M. Kotani Laboratory
Undergraduate Summer Student
Tim Kamsma
Visiting PhD Student
Assistant Professor, University of Tokyo

Alumni

 Arjun  Ashoka
PhD student, Gates Scholar and Winton Scholar
 Alan  Bowman
PhD student, Winton Scholar
 Ivona  Bravić
PhD student
+44(0)1223 3 36073
Lewis Conway
Postdoctoral Research Associate
kapildeb
Postdoctoral Research Associate
Prof Defang  Duan
Associate Professor of Jilin University
 Yuchen  Hu
PhD student, EPSRC and Trinity Henry-Barlow Scholarship
Postdoctoral Research Associate
 Gunnar  Lange
PhD student, Aker Scholar
Dr Yun  Liu
Postdoctoral Research Associate
Dr Ziheng  Lu
Postdoctoral Research Associate
Dr. Hisao  Nakamura
Senior Research Scientist, Research Center for Computational Design of Advanced Functional Materials, AIST, Japan
+44 (0)1223 334335
Dr Joseph  Nelson
Postdoctoral Research Associate
AIMR Joint Centre Scientist
Postdoctoral By-Fellow, Churchill College
+44 (0)1223 334335
Dr Zhun-Yong  Ong
 Bo  Peng
PhD student, Winton Scholar
Postdoctoral Research Associate
Dr Georg  Schusteritsch
Postdoctoral Research Associate
+44 (0)1223 334335
 Ben  Shires
PhD student, EPSRC CDT in Computational Methods in Materials Science
+44 (0)1223 334335
Dr John  Trail
Postdoctoral Research Associate
Dr W. Chuck Witt
Junior Research Fellow (Christ's College)
Schmidt Science Fellow
 Bonan  Zhu
Affliated Member

Latest news

Welcome to Will Galloway and Dr. JiuYang Shi !

25 November 2025

Will Galloway has joined the MTG as a PhD student in October. Dr. JiuYang Shi will collaborate with MTG, he is a postdoc in Prof. Angelos Michaelides.

AIRAPT Conference in Matsuyama (Japan)

28 September 2025

Dr. Ryuhei Sato (Assistant Professor at Tokyo University) and Dr. Maélie Caussé attended the 2025 AIRAPT Conference.

Dr. Ruyhei Sato and Kim Kamsma visiting MTG. And Welcome to Stefano Racioppi !

1 September 2025

Dr. Ruyhei Sato from Tokyo University and Tim Kamsam (PhD student in Utrecht University in Theoretical Physics and Mathematics) visited Material Theory Group this summer for few months ! Picture of the MTG (from left to...

Chris Pickard on the American Scientist podcast

24 July 2025

MTG group leader Chris Pickard was featured on the American Scientist podcast this month. Access the podcast using this link to hear Chris discuss a range of topics, from future research directions of the group, to pondering...

CS2PA Workshop in Poitiers (France)

20 June 2025

The first edition CS2PA workshop, a series of hands-on tutorials on Crystal Structure Prediction & Machine-learned potentials was held in Poitiers University (France), (see program of CS2PA ) MTG leader Chris Pickard and...

Congratulations Pascal Salzbrenner !

10 June 2025

Dr. Pascal Salzbrenner completed his PhD on High-throughput Ab Initio Phase Diagram Prediction in 2025.

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...