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Materials Theory Group

 
Read more at: Machine learning shows how hydrogen becomes a metal inside giant planets

Machine learning shows how hydrogen becomes a metal inside giant planets

10 September 2020

By combining machine learning and quantum mechanics, researchers have carried out simulations to discover how hydrogen becomes a metal under extreme pressures.

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Read more at: MSM-AIMR Joint Online Workshop 2020

MSM-AIMR Joint Online Workshop 2020

8 September 2020

In the week of 24-28 August 2020, the Department of Materials Science and Metallurgy held a Joint Online Workshop with Tohoku University in Japan.

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Read more at: Hierarchically Structured Allotropes of Phosphorus from Data-Driven Exploration

Hierarchically Structured Allotropes of Phosphorus from Data-Driven Exploration

22 June 2020

Researchers discover new elemental phosphorus structures by using 'fragments' of phosphorus as building blocks.

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New academic license for CASTEP

New academic license for CASTEP

6 March 2020

The CASTEP developers announce a new cost-free worldwide source code license to CASTEP and NMR CASTEP for academic use.

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Dr Chuck Witt joins the MTG

Dr Chuck Witt joins the MTG

6 March 2020

The Materials Theory Group welcomes its newest research associate, Dr Chuck Witt.

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Welcome to Dr Bartomeu Monserrat

Welcome to Dr Bartomeu Monserrat

10 January 2020

The Materials Theory Group welcomes new faculty member and new group member Bartomeu Monserrat.

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CASTEP: From research code to software product with Professor Chris Pickard

CASTEP: From research code to software product with Professor Chris Pickard

9 January 2020

On 22 January 2020, Chris Pickard will give a talk followed by a Q&A session on commercialising software.

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College Senior Scholarship for Ben

College Senior Scholarship for Ben

25 November 2019

PhD student Ben Shires has been awarded a Fitzwilliam College Senior Scholarship.

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In-browser cloud-hosted AIRSS examples available

In-browser cloud-hosted AIRSS examples available

8 August 2019

Materials Theory Group member and PhD student Bonan Zhu has created an interactive online environment for the ab initio random structure searching (AIRSS) code. The environment uses binder and allows a user to access and run selected examples from the AIRSS code in-browser. You can access the in-browser interface, and try...

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Helium–water compounds exhibit multiple superionic states

Helium–water compounds exhibit multiple superionic states

26 July 2019

Superionic materials are simultaneously liquids and solids. In a multicomponent compound, the different constituents could melt independently, at different temperatures. In a collaboration between the University of Cambridge and Nanjing University, a computational study has discovered that helium-water compounds under...

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