Coarse graining molecular dynamics with graph neural networks

Coarse graining enables the investigation of molecular dynamics for larger systems and at longer timescales than is possible at an atomic resolution. However, a coarse graining model must be formulated such that the conclusions we draw from it are consistent with the conclusions we would draw from a...

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Xehetasun bibliografikoak
Argitaratua izan da:J Chem Phys
Egile Nagusiak: Husic, Brooke E., Charron, Nicholas E., Lemm, Dominik, Wang, Jiang, Pérez, Adrià, Majewski, Maciej, Krämer, Andreas, Chen, Yaoyi, Olsson, Simon, de Fabritiis, Gianni, Noé, Frank, Clementi, Cecilia
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: AIP Publishing LLC 2020
Gaiak:
ARTICLES
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC7671749/
https://ncbi.nlm.nih.gov/pubmed/33218238
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0026133
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