Biography

pratyush_tiwary

CONTACT INFORMATION

 Office Phone: 301-405-2148
 Office Address: IPST 1115A
 Email: ptiwary@umd.edu
 Group Website

Assistant Professor

Education

  • B. Tech., Metallurgical Engineering, Indian Institute of Technology, Banaras Hindu University, Varanasi, India. 2007
  • M.S., Materials Science, California Institute of Technology, 2008
  • Ph.D., Materials Science, California Institute of Technology, 2012
  • Postdoctoral Fellow with Prof. Michele Parrinello, Department of Chemistry and Applied Biosciences, ETH Zurich, 2013-2015
  • Postdoctoral Fellow with Prof. Bruce Berne, Department of Chemistry, Columbia University, 2015-2017

Professional Experience

  • Assistant Professor, University of Maryland, College Park, 2017-present

Research Interests

My research group and I do inter-disciplinary theoretical and computational research to model and predict thermodynamics, dynamics and their interplay in complex real-world systems, relevant to pharmaceutical, chemical and materials sciences. A common theme across these diverse systems is that many of these are plagued with hard to model rare events. To tackle these we develop and use theoretical and computational tools drawing primarily from equilibrium and non-equilibrium statistical mechanics, as well as applied math and recent developments in machine learning/artificial intelligence

Major Recognitions and Honors

  • Peter Salamon Award for Young Scientists, Telluride Science Research Center, 2016
  • Division of Engineering and Applied Sciences Fellowship, California Institute of Technology, 2008
  • Certificate of Merit for outstanding all-round achievement, Banaras Hindu University, 2007
  • Summer Research Fellowship, Indian Academy of Sciences, 2005

Significant Professional Service and Activities

  • Co-organizer, International conference on ‘Recent Advances in modeling Rare Events (RARE)’, Agra, India, 2017
  • Co-organizer, International CECAM conference on ‘Long time dynamics from short time simulations’, Lugano, Switzerland, 2014

Research

Summary:

The Tiwary research group does inter-disciplinary theoretical and computational research to model and predict thermodynamics, dynamics and especially their interplay in complex real-world systems, relevant to pharmaceutical, chemical and materials sciences. A common theme across these diverse systems is that many of these are plagued with hard to model rare events. To tackle these we develop and use theoretical and computational tools drawing primarily from equilibrium and non-equilibrium statistical mechanics, as well as applied math and recent developments in deep learning/artificial intelligence.

More specifically speaking the group’s current research thrust areas include:

  • Statistical dynamics of rare events – theory and algorithm development using statistical mechanics and deep learning
  • Dynamics of drug unbinding and protein plasticity, especially in protein kinases, and with applications in high throughput computational drug design of anti-cancer drugs
  • In material and biophysical systems, quantifying the interplay between thermodynamics and kinetics as a determinant of structure and properties, and how the environment (stress, solvent etc.) affects it

To learn more about our research interests please visit the group website or Prof. Tiwary’s Google Scholar profile

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