Pratyush Tiwary

10.1k total citations · 5 hit papers
90 papers, 5.2k citations indexed

About

Pratyush Tiwary is a scholar working on Molecular Biology, Materials Chemistry and Atomic and Molecular Physics, and Optics. According to data from OpenAlex, Pratyush Tiwary has authored 90 papers receiving a total of 5.2k indexed citations (citations by other indexed papers that have themselves been cited), including 55 papers in Molecular Biology, 41 papers in Materials Chemistry and 25 papers in Atomic and Molecular Physics, and Optics. Recurrent topics in Pratyush Tiwary's work include Protein Structure and Dynamics (48 papers), Machine Learning in Materials Science (27 papers) and Computational Drug Discovery Methods (20 papers). Pratyush Tiwary is often cited by papers focused on Protein Structure and Dynamics (48 papers), Machine Learning in Materials Science (27 papers) and Computational Drug Discovery Methods (20 papers). Pratyush Tiwary collaborates with scholars based in United States, Switzerland and India. Pratyush Tiwary's co-authors include Michele Parrinello, B. J. Berne, Axel van de Walle, Ómar Valsson, Yihang Wang, João Marcelo Lamim Ribeiro, Dongwon Shin, Long‐Qing Chen, A. Dick and Maarten de Jong and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Journal of the American Chemical Society and Physical Review Letters.

In The Last Decade

Pratyush Tiwary

85 papers receiving 5.1k citations

Hit Papers

align trajectories sort by overperformance

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Efficient stochastic generation of special quasirandom structures

2013 1.2k citations Axel van de Walle, Pratyush Tiwary et al. Calphad profile →
Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint

2016 452 citations Pratyush Tiwary, Michele Parrinello et al. profile →
A Time-Independent Free Energy Estimator for Metadynamics

2014 377 citations Pratyush Tiwary, Michele Parrinello The Journal of Physical Chemistry B profile →
From Metadynamics to Dynamics

2013 349 citations Pratyush Tiwary, Michele Parrinello profile →
Enhanced Sampling with Machine Learning

2024 66 citations Pratyush Tiwary et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Pratyush Tiwary United States	30	2.7k	2.1k	930	865	616	90	5.2k
Normand Mousseau Canada	46	2.3k 0.9×	2.9k 1.4×	1.1k 1.2×	392 0.5×	612 1.0×	201	6.1k
Weiqing Ren United States	25	1.1k 0.4×	1.1k 0.5×	998 1.1×	521 0.6×	214 0.3×	61	4.4k
Gareth A. Tribello United Kingdom	28	2.1k 0.8×	1.6k 0.8×	950 1.0×	324 0.4×	170 0.3×	46	4.6k
Fabio Pietrucci France	35	2.2k 0.8×	1.5k 0.7×	949 1.0×	304 0.4×	259 0.4×	93	4.7k
Jed W. Pitera United States	30	3.3k 1.2×	2.2k 1.1×	1.6k 1.7×	370 0.4×	167 0.3×	68	6.1k
Albert P. Bartók United Kingdom	24	1.2k 0.4×	7.0k 3.4×	1.6k 1.8×	2.1k 2.4×	482 0.8×	50	8.4k
Mikko Haataja United States	33	1.8k 0.7×	2.1k 1.0×	512 0.6×	184 0.2×	746 1.2×	96	5.0k
I. Kovács Hungary	32	1.2k 0.5×	1.1k 0.5×	1.1k 1.1×	637 0.7×	1000 1.6×	209	5.0k
William C. Swope United States	34	4.3k 1.6×	3.5k 1.7×	3.6k 3.8×	415 0.5×	435 0.7×	76	10.3k
Wolfgang Wenzel Germany	48	2.0k 0.8×	3.4k 1.6×	1.3k 1.4×	357 0.4×	341 0.6×	441	9.2k

Countries citing papers authored by Pratyush Tiwary

Since Specialization

Citations

This map shows the geographic impact of Pratyush Tiwary's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Pratyush Tiwary with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Pratyush Tiwary more than expected).

Fields of papers citing papers by Pratyush Tiwary

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Pratyush Tiwary. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Pratyush Tiwary. The network helps show where Pratyush Tiwary may publish in the future.

Co-authorship network of co-authors of Pratyush Tiwary

This figure shows the co-authorship network connecting the top 25 collaborators of Pratyush Tiwary. A scholar is included among the top collaborators of Pratyush Tiwary based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Pratyush Tiwary. Pratyush Tiwary is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Wang, Dedi, et al.. (2025). Modeling Boltzmann-weighted structural ensembles of proteins using artificial intelligence–based methods. Current Opinion in Structural Biology. 91. 103000–103000. 16 indexed citations

Tiwary, Pratyush, et al.. (2025). A comparison of probabilistic generative frameworks for molecular simulations. The Journal of Chemical Physics. 162(11). 3 indexed citations

Wang, Ruiyu & Pratyush Tiwary. (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(20). 16876–16884. 1 indexed citations

Seok, Chaok & Pratyush Tiwary. (2025). Editorial overview: Artificial intelligence methodologies in structural biology. Current Opinion in Structural Biology. 95. 103156–103156.

Gu, Xinyu, et al.. (2024). Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE. eLife. 13. 2 indexed citations

Wang, Dedi, et al.. (2024). Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling. Journal of Chemical Theory and Computation. 20(14). 6341–6349. 8 indexed citations

Tiwary, Pratyush. (2024). Modeling prebiotic chemistries with quantum accuracy at classical costs. Proceedings of the National Academy of Sciences. 121(23). e2408742121–e2408742121. 1 indexed citations

Smith, Zachary, et al.. (2024). Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention. Journal of Chemical Information and Modeling. 64(7). 2637–2644. 11 indexed citations

Wang, Ruiyu, 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(4). 1012–1021. 9 indexed citations

10.

Wang, Dedi & Pratyush Tiwary. (2024). Augmenting Human Expertise in Weighted Ensemble Simulations through Deep Learning-Based Information Bottleneck. Journal of Chemical Theory and Computation. 20(23). 10371–10383. 5 indexed citations

11.

Tiwary, Pratyush, et al.. (2023). Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence. Current Opinion in Solid State and Materials Science. 27(4). 101093–101093. 14 indexed citations

12.

Cameron, Maria, et al.. (2023). Computing committors in collective variables via Mahalanobis diffusion maps. Applied and Computational Harmonic Analysis. 64. 62–101. 14 indexed citations

13.

Tiwary, Pratyush, et al.. (2023). Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE. Journal of Chemical Information and Modeling. 64(7). 2789–2797. 22 indexed citations

14.

Deng, Chun‐Lin, et al.. (2022). Molecular recognition of methylated amino acids and peptides by Pillar[6]MaxQ. Organic & Biomolecular Chemistry. 20(37). 7429–7438. 6 indexed citations

15.

Cameron, Maria, et al.. (2022). Computing committors via Mahalanobis diffusion maps with enhanced sampling data. The Journal of Chemical Physics. 157(21). 214107–214107. 16 indexed citations

16.

Ribeiro, João Marcelo Lamim, et al.. (2018). Kinetics of Ligand–Protein Dissociation from All-Atom Simulations: Are We There Yet?. Biochemistry. 58(3). 156–165. 32 indexed citations

17.

Ribeiro, João Marcelo Lamim & Pratyush Tiwary. (2018). Toward Achieving Efficient and Accurate Ligand-Protein Unbinding with Deep Learning and Molecular Dynamics through RAVE. Journal of Chemical Theory and Computation. 15(1). 708–719. 51 indexed citations

18.

Tiwary, Pratyush, James F. Dama, & Michele Parrinello. (2015). A perturbative solution to metadynamics ordinary differential equation. The Journal of Chemical Physics. 143(23). 234112–234112. 9 indexed citations

19.

Walle, Axel van de, Pratyush Tiwary, Maarten de Jong, et al.. (2013). Efficient stochastic generation of special quasirandom structures. Calphad. 42. 13–18. 1242 indexed citations breakdown →

20.

Tiwary, Pratyush & Dhananjai Pandey. (2007). Scaling behaviour of pair correlation functions for randomly faulted hexagonal close-packed structures. Acta Crystallographica Section A Foundations of Crystallography. 63(4). 289–296. 5 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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