Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water. | J Chem Theory Comput;19(14): 4596-4605, 2023 Jul 25. | MEDLINE

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Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water.

Donkor, Edward Danquah; Laio, Alessandro; Hassanali, Ali.

Affiliation

Donkor ED; The Abdus Salam International Center for Theoretical Physics (ICTP), Strada Costiera 11, 34151 Trieste, Italy.
Laio A; Scuola Internazionale Superiore di Studi Avanzati (SISSA), via Bonomea 265, 34136 Trieste, Italy.
Hassanali A; Scuola Internazionale Superiore di Studi Avanzati (SISSA), via Bonomea 265, 34136 Trieste, Italy.

J Chem Theory Comput ; 19(14): 4596-4605, 2023 Jul 25.

Article in En | MEDLINE | ID: mdl-36920997

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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country:

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2023 Document type: Article Affiliation country: