CASTEP-USER: Predictive materials modelling for experimental scientists

Hasnip, Philip James (Principal investigator)
Byrne, Peter John Phares (Co-investigator)
Probert, Matt (Co-investigator)

Physics

Project: Research project (funded) › Research

1 Article

1 results

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2023

Machine-learned acceleration for molecular dynamics in CASTEP
Stenczel, T., El-Machachi, Z., Liepuoniute, G., Morrow, J., Bartók, A., Probert, M., Csányi, G. & Deringer, V., 27 Jul 2023, In: Journal of Chemical Physics. 159, 12 p., 044803.
Research output: Contribution to journal › Article › peer-review

Open Access
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