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Materials Theory Group


From time to time post doctoral research opportunities will be available within the Materials Theory Group. These are advertised on the University of Cambridge's site (Dept. of Materials Science and Metallurgy subsection), and on the PsiK mailing list.


Potential research students are encouraged to apply to the CDT in Computational Method for Materials Modelling, or directly to the department (clearly indicating Prof. Chris Pickard as a potential supervisor).


We support applications from excellent early career researchers to personal research fellowships. These include schemes such as Marie Skłodowska Curie Actions, Leverhulme Trust Fellowships, Royal Society University Research Fellowships, and similar programmes. Please get in contact with Prof. Chris Pickard if you are interested in applying to these.

Latest news

New carbonates uncovered

7 January 2022

A study by Joseph Nelson and Chris Pickard of the Department of Materials Science and Metallurgy, University of Cambridge and the AIMR, Tohoku University, uses structure prediction to exhaustively explore the Ti-C-O and Al-C-O ternary systems.

Postdoc in High Temperature Conventional Superconductivity

5 January 2022

Applications are invited for a postdoctoral research position with Professor Chris Pickard at the University of Cambridge. Recent advances in computational methods have raised the prospect of the in silico design of high...

Visualising potential energy surfaces using dimensionality reduction

25 November 2021

Computational structure prediction has emerged as a highly successful approach to the discovery of new materials. Candidate structures are created by constructing the most stable configurations that can be adopted by a given...

The elements of life under pressure

1 July 2021

First-principles structure prediction sheds light on high-pressure compounds formed from carbon, hydrogen, nitrogen and oxygen.

AIRSS for battery cathode materials

15 June 2021

A team of researchers at Cambridge and University College London have developed a computational framework for battery cathode exploration based on ab initio random structure searching.

Anatase-like Grain Boundary Structure in Rutile Titanium Dioxide

30 April 2021

A collaboration between researchers at Cambridge and AIMR has shed light on grain boundary structures in titania.

Physics World Breakthrough of the Year finalists for 2020

17 December 2020

A paper coauthored by Chris Pickard and Bartomeu Monserrat has been selected as a Top 10 finalist in Physics World's breakthroughs of the year for 2020.