JACS Au
(Feb 2025)
Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: A First-Principles Machine Learning Study
- Margaret L. Berrens,
- Marcos F. Calegari Andrade,
- John T. Fourkas,
- Tuan Anh Pham,
- Davide Donadio
Affiliations
- Margaret L. Berrens
- Department of Chemistry, University of California Davis, Davis, California, United States
- Marcos F. Calegari Andrade
- Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California, United States
- John T. Fourkas
- Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, United States
- Tuan Anh Pham
- Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, Livermore, California, United States
- Davide Donadio
- Department of Chemistry, University of California Davis, Davis, California, United States
- DOI
-
https://doi.org/10.1021/jacsau.4c00957
- Journal volume & issue
-
Vol. 5,
no. 3
pp.
1173
– 1183
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