Zamaraeva, Elena, Collins, Christopher M ORCID: 0000-0002-0101-4426, Antypov, Dmytro ORCID: 0000-0003-1893-7785, Gusev, Vladimir V, Savani, Rahul ORCID: 0000-0003-1262-7831, Dyer, Matthew Stephen ORCID: 0000-0002-4923-3003, Darling, George ORCID: 0000-0001-9329-9993, Potapov, Igor, Rosseinsky, Matthew J ORCID: 0000-0002-1910-2483 and Spirakis, Paul G ORCID: 0000-0001-5396-3749
(2023)
Reinforcement Learning in Crystal Structure Prediction.
Digital Discovery, 2 (6).
pp. 1831-1840.
Abstract
<jats:p>Crystal Structure Prediction (CSP) is a fundamental computational problem in materials science. Basin-hopping is a prominent CSP method that combines global Monte Carlo sampling to search over candidate trial structures...</jats:p>
Item Type: | Article |
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Uncontrolled Keywords: | Rare Diseases, Orphan Drug |
Divisions: | Faculty of Science and Engineering > School of Electrical Engineering, Electronics and Computer Science |
Depositing User: | Symplectic Admin |
Date Deposited: | 02 Oct 2023 08:17 |
Last Modified: | 25 Apr 2024 17:38 |
DOI: | 10.1039/d3dd00063j |
Open Access URL: | https://pubs.rsc.org/en/content/articlepdf/2023/dd... |
Related URLs: | |
URI: | https://livrepository.liverpool.ac.uk/id/eprint/3173229 |