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Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins"

Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins"
Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins"
Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins"
Zenodo
Skylaris, Dr Chris-Kriton
8f593d13-3ace-4558-ba08-04e48211af61
Morado, João
f83f0c26-bbe3-420c-9999-e22ab439c9c6
Mortenson, Dr Paul Neil
765f1d79-fcd6-4104-b033-b534d8d31f65
Essex, Dr Joanthan W.
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Nissink, Dr J. Willem M.
54572021-91eb-4562-a80b-1b633bb94db5
Skylaris, Dr Chris-Kriton
8f593d13-3ace-4558-ba08-04e48211af61
Morado, João
f83f0c26-bbe3-420c-9999-e22ab439c9c6
Mortenson, Dr Paul Neil
765f1d79-fcd6-4104-b033-b534d8d31f65
Essex, Dr Joanthan W.
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Nissink, Dr J. Willem M.
54572021-91eb-4562-a80b-1b633bb94db5

(2022) Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins". Zenodo doi:10.5281/zenodo.7839023 [Dataset]

Record type: Dataset

Abstract

Supporting Data for "Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins"

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More information

Published date: 28 November 2022

Identifiers

Local EPrints ID: 476471
URI: http://eprints.soton.ac.uk/id/eprint/476471
PURE UUID: 3787e155-52a7-4f83-8650-515f822b2624
ORCID for Dr Chris-Kriton Skylaris: ORCID iD orcid.org/0000-0003-0258-3433
ORCID for Dr Joanthan W. Essex: ORCID iD orcid.org/0000-0003-2639-2746

Catalogue record

Date deposited: 03 May 2023 16:59
Last modified: 20 Jul 2023 01:38

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Contributors

Contributor: João Morado
Contributor: Dr Paul Neil Mortenson
Contributor: Dr Joanthan W. Essex ORCID iD
Contributor: Dr J. Willem M. Nissink

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