Pratyush Tiwary
Affiliations: | 2017- | Chemistry and Biochemistry | University of Maryland, College Park, College Park, MD |
Area:
statistical mechanics, molecular dynamics, rare events, enhanced sampling, drug designWebsite:
sites.google.com/site/pratyushtiwary/Google:
"Pratyush Tiwary"Mean distance: 8.86
Parents
Sign in to add mentor| Axel van de Walle | grad student | 2012 | Caltech | |
| (Atomistic simulations of materials: Methods for accurate potentials and realistic time scales.) | ||||
| Michele Parrinello | post-doc | 2013-2015 | ETH Zürich | |
| Bruce J. Berne | post-doc | 2015-2017 | Columbia | |
Children
Sign in to add trainee| Carlos Cuellar | research assistant | 2019-2019 | (Physics Tree) |
| Ruiyu Wang | post-doc | University of Maryland |
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Publications
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| Wang R, Tiwary P. (2025) Electric Field's Dueling Effects through Dehydration and Ion Separation in Driving NaCl Nucleation at Charged Nanoconfined Interfaces. Journal of the American Chemical Society. 147: 16876-16884 |
| Wang R, Tiwary P. (2025) Enhanced polymorph metastability drives glycine nucleation in aqueous salt solutions. Proceedings of the National Academy of Sciences of the United States of America. 122: e2503490122 |
| Tribello GA, Bonomi M, Bussi G, et al. (2025) PLUMED Tutorials: A collaborative, community-driven learning ecosystem. The Journal of Chemical Physics. 162 |
| Wang R, Tiwary P. (2024) Atomic scale insights into NaCl nucleation in nanoconfined environments. Chemical Science |
| Wang D, Qiu Y, Beyerle ER, et al. (2024) An Information Bottleneck Approach for Markov Model Construction. Arxiv |
| Wang D, Qiu Y, Beyerle ER, et al. (2024) Information Bottleneck Approach for Markov Model Construction. Journal of Chemical Theory and Computation |
| Wang R, Mehdi S, Zou Z, et al. (2024) Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution? The Journal of Physical Chemistry. B. 128: 1012-1021 |
| Zou Z, Beyerle ER, Tsai ST, et al. (2023) Driving and characterizing nucleation of urea and glycine polymorphs in water. Proceedings of the National Academy of Sciences of the United States of America. 120: e2216099120 |
| Beyerle ER, Mehdi S, Tiwary P. (2022) Quantifying Energetic and Entropic Pathways in Molecular Systems. The Journal of Physical Chemistry. B. 126: 3950-3960 |
| Zou Z, Tsai ST, Tiwary P. (2021) Toward Automated Sampling of Polymorph Nucleation and Free Energies with the SGOOP and Metadynamics. The Journal of Physical Chemistry. B |