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 | S | N | B | C | P |
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 |
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Publications
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| 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 |
| Pant S, Smith Z, Wang Y, et al. (2020) Confronting pitfalls of AI-augmented molecular dynamics using statistical physics. The Journal of Chemical Physics. 153: 234118 |
| Smith Z, Ravindra P, Wang Y, et al. (2020) Discovering Protein Conformational Flexibility Through Artificial Intelligence Aided Molecular Dynamics. The Journal of Physical Chemistry. B |
| Wang Y, Tiwary P. (2020) Understanding the role of predictive time delay and biased propagator in RAVE. The Journal of Chemical Physics. 152: 144102 |
| Wang Y, Lamim Ribeiro JM, Tiwary P. (2020) Machine learning approaches for analyzing and enhancing molecular dynamics simulations. Current Opinion in Structural Biology. 61: 139-145 |
| Tsai S, Tiwary P. (2020) On the distance between A and B in molecular configuration space Molecular Simulation. 1-8 |
| Tsai ST, Smith Z, Tiwary P. (2019) Reaction coordinates and rate constants for liquid droplet nucleation: Quantifying the interplay between driving force and memory. The Journal of Chemical Physics. 151: 154106 |
| Wang Y, Ribeiro JML, Tiwary P. (2019) Past-future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics. Nature Communications. 10: 3573 |