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Tiwary, Pratyush, Berne, B. J. (2016) Spectral gap optimization of order parameters for sampling complex molecular systems. Proceedings of the National Academy of Sciences, 113 (11) 2839-2844 doi:10.1073/pnas.1600917113

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Reference TypeJournal (article/letter/editorial)
TitleSpectral gap optimization of order parameters for sampling complex molecular systems
JournalProceedings of the National Academy of Sciences
AuthorsTiwary, PratyushAuthor
Berne, B. J.Author
Year2016 (March 15)Volume113
Issue11
PublisherProceedings of the National Academy of Sciences
DOIdoi:10.1073/pnas.1600917113Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID1844849Long-form Identifiermindat:1:5:1844849:4
GUID0
Full ReferenceTiwary, Pratyush, Berne, B. J. (2016) Spectral gap optimization of order parameters for sampling complex molecular systems. Proceedings of the National Academy of Sciences, 113 (11) 2839-2844 doi:10.1073/pnas.1600917113
Plain TextTiwary, Pratyush, Berne, B. J. (2016) Spectral gap optimization of order parameters for sampling complex molecular systems. Proceedings of the National Academy of Sciences, 113 (11) 2839-2844 doi:10.1073/pnas.1600917113
In(2016, March) Proceedings of the National Academy of Sciences Vol. 113 (11) Proceedings of the National Academy of Sciences

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Smith, Zachary, Pramanik, Debabrata, Tsai, Sun-Ting, Tiwary, Pratyush (2018) Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization. The Journal of Chemical Physics, 149 (23). 234105pp. doi:10.1063/1.5064856
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Wang, Yihang, Herron, Lukas, Tiwary, Pratyush (2022) From data to noise to data for mixing physics across temperatures with generative artificial intelligence. Proceedings of the National Academy of Sciences, 119 (32) doi:10.1073/pnas.2203656119
Berne, B. J. (2005) Chemical theory and computation. Proceedings of the National Academy of Sciences, 102 (19) 6647 doi:10.1073/pnas.0503208102
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