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Materials Theory Group

Read more at: Materials Modelling Seminars

Materials Modelling Seminars

Materials Modelling Seminars are typically held in Goldsmiths 1 (0_017), on the ground floor of the Department of Materials Science and Metallurgy, University of Cambridge. See here for directions to the department, and click on the talks below for more information. Upcoming Seminars: Past Seminars...

Read more at: Electronic Structure Discussion Group

Electronic Structure Discussion Group

The Materials Theory Group are core participants in the University-wide Electronic Structure Discussion Group. These meetings are intended to promote the exchange of ideas between scientists who develop or use techniques such as density functional theory, quantum Monte Carlo, or quantum chemistry...

Read more at: MSM-AIMR Joint Online Workshop 2020

MSM-AIMR Joint Online Workshop 2020

In the week of 24-28 August 2020, we will be hosting a Joint Online Workshop, bringing together researchers from Materials Science and Metallurgy in Cambridge and the Advanced Institute for Materials Research in Japan for a series of seminars.

Read more at: Total Energy and Force Methods 2018 Workshop

Total Energy and Force Methods 2018 Workshop

Total Energy and Force Methods 2018 Workshop 9 th January 2018 – 11 th January 2018 Last Booking Date for this Event: 7 th December 2017 The workshop focuses on the most recent developments in the field of electronic structure methods from the first-principles perspective, their diverse...

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.