Accurate and efficient parameterization of an atomic cluster expansion (ACE) potential for ammonia under extreme conditions

Journal article

The Journal of Chemical Physics, Vol.162(14), p.144316

04/11/2025

Abstract and subjects

Classical & Quantum Mechanics, General Physics(71)

Condensed Matter Physics, Superconductivity & Superfluidity(75)

Materials Science(36)

Mathematics & Computing(97)

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Title: Accurate and efficient parameterization of an atomic cluster expansion (ACE) potential for ammonia under extreme conditions
Authors/Creators - name: Jonathan Tyler Willman
Romain Perriot
Christopher Ticknor
Publication Details: The Journal of Chemical Physics, Vol.162(14), p.144316
Number of pages: 30
Government Number: LA-UR-24-33024
Language: English
Resource Type: Journal article
DOI: https://doi.org/10.1063/5.0252373
Publication ISSN: 1089-7690