PyRETIS 3: Conquering rare and slow events without boundaries
Article Properties
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LanguageEnglish
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DOI (url)
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Publication Date2024/02/12
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Indian UGC (journal)
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Refrences63
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Wouter Vervust IBiTech–BioMMedA Group Ghent University Ghent Belgium ORCID (unauthenticated)
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Daniel T. Zhang Department of Chemistry Norwegian University of Science and Technology Trondheim Norway ORCID (unauthenticated)
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An Ghysels IBiTech–BioMMedA Group Ghent University Ghent Belgium ORCID (unauthenticated)
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Sander Roet Department of Chemistry Utrecht University Utrecht The Netherlands ORCID (unauthenticated)
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Titus S. van Erp Department of Chemistry Norwegian University of Science and Technology Trondheim Norway ORCID (unauthenticated)
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Enrico Riccardi Department of Energy Resources University of Stavanger Stavanger Norway ORCID (unauthenticated)
Abstract
Cite
Vervust, Wouter, et al. “PyRETIS 3: Conquering Rare and Slow Events Without Boundaries”. Journal of Computational Chemistry, vol. 45, no. 15, 2024, pp. 1224-3, https://doi.org/10.1002/jcc.27319.
Vervust, W., Zhang, D. T., Ghysels, A., Roet, S., van Erp, T. S., & Riccardi, E. (2024). PyRETIS 3: Conquering rare and slow events without boundaries. Journal of Computational Chemistry, 45(15), 1224-1234. https://doi.org/10.1002/jcc.27319
Vervust, Wouter, Daniel T. Zhang, An Ghysels, Sander Roet, Titus S. van Erp, and Enrico Riccardi. “PyRETIS 3: Conquering Rare and Slow Events Without Boundaries”. Journal of Computational Chemistry 45, no. 15 (2024): 1224-34. https://doi.org/10.1002/jcc.27319.
1.
Vervust W, Zhang DT, Ghysels A, Roet S, van Erp TS, Riccardi E. PyRETIS 3: Conquering rare and slow events without boundaries. Journal of Computational Chemistry. 2024;45(15):1224-3.
Journal Categories
Science
Chemistry
Science
Chemistry
General
Including alchemy
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Refrences
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
| Title | 2024 | |||
| Theoretical Chemistry | 2023 | |||
| Solvent effects on chemistry with alcohols | 2003 | |||
| Understanding Mol. Simul | 2002 | |||
| OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes | Journal of Chemical Theory and Computation |
| 31 | 2018 |