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Signatures of a liquid–liquid transition in an ab initio deep neural network model for water

The possible existence of a metastable liquid–liquid transition (LLT) and a corresponding liquid–liquid critical point (LLCP) in supercooled liquid water remains a topic of much debate. An LLT has been rigorously proved in three empirically parametrized molecular models of water, and evidence consis...

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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Gartner, Thomas E., Zhang, Linfeng, Piaggi, Pablo M., Car, Roberto, Panagiotopoulos, Athanassios Z., Debenedetti, Pablo G.
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7584908/
https://ncbi.nlm.nih.gov/pubmed/33008883
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.2015440117
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