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Quantum mechanical force fields for condensed phase molecular simulations
Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | J Phys Condens Matter |
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| Κύριοι συγγραφείς: | , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
2017
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5821073/ https://ncbi.nlm.nih.gov/pubmed/28817382 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1088/1361-648X/aa7c5c |
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