The Tiwary Group at

University of Maryland, College Park

We have multiple openings for graduate students or postdocs at the moment. See full advert here.

How, when and why does a drug molecule stop working?

How, when and why do a bunch of atoms dancing around randomly suddenly decide to arrange themselves in beautiful crystals?

How does a protein decide when to fold and when to misfold?

These questions have immense health, engineering and societal ramifications. Answering them could lead to the next super-drug or super-material with targeted, cost-effective applications and minimal unwanted side-effects. However, they have a common underlying theme of rare events - that is, processes so slow that to study them on the best supercomputers would take almost the age of the universe. The Tiwary lab is interested in answering these and other seemingly diverse looking questions that are actually tractable together with the power and universality of statistical mechanics. To do so we develop the next generation of computational tools, grounded in statistical mechanics and artificial intelligence, and made available to the broad scientific community in an open-source manner (GitHub).

Please see our publications page or Pratyush's scholar google page to see what we have been up to, and also visit our GitHub to check out our ideas yourselves.

Our lab is grateful to the following organizations for their generous financial support that allows us to do science and work on fearless ideas! If you’re interested in supporting our research, please consider making a gift through UMD Foundation.


I am an Assistant Professor at the University of Maryland, College Park. I have a joint position in the Department of Chemistry and Biochemistry and the Institute for Physical Science and Technology. I am also an affiliated faculty member of the Chemical Physics program, Biophysics program and the Applied Math & Statistics & Scientific Computation program.

I received my PhD and MS in Materials Science from Caltech, working with Axel van de Walle, and finished my undergraduate degree in Metallurgical Engineering at the Indian Institute of Technology, Banaras Hindu University, Varanasi. Prior to starting my tenure-track position, I have been a postdoc in the Department of Chemistry at Columbia University, where I worked with Bruce Berne, and at the Department of Chemistry & Applied Biosciences at ETH Zurich, where I worked with Michele Parrinello.

You can see my detailed CV here and learn more about our group and our research on these webpages.

In the academic years 2019-2020 and 2020-2021 I am the organizer of the Physical Chemistry seminar series. I am also a co-organizer of the Informal Statistical Physics seminar series with Chris Jarzynski. Please email me if you have suggestions for speakers in either of the series!

I can be reached on my office phone 301 405 2148 or preferably through email p<lastname> at umd dot edu. My office address is Room 1115A, Institute for Physical Science and Technology (Building 085), University of Maryland, College Park, MD 20742.

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