Dr. Tarak Patra

Dr. Tarak Patra


Assistant Professor

NAC 447



Research Areas

High Throughput Materials Design, Soft and Nano Materials, Molecular Simulations and Machine Learning, High Performance Computing and AI

PRO Attainments

2014 – Doctor of Philosophy
IIT Kanpur
2008 – Master Of Technology
University of Hyderabad
2006 – Master of Science
Jawaharlal Nehru University
2004 – Bachelor of Science
University of Calcutta


Career History

2019 – Current
Assitant Professor (Chemical Engineering Department)
Indian Institute of Technology Madras, Chennai

Post-Doctoral Fellow, Argonne National Laboratory

Post-Doctoral Fellow, University of Akron

Recent Publications


Patra T K, Loeffler T D, Chan H, Cherukara M J, Narayanan B, Sankaranarayanan S KRS, A coarse-grained deep neural network model for liquid water, Applied Physics Letters 115, 193101


Patra T K, Chan H, Shevchenko E V, Sankaranarayanan S KRS, Narayanan B, Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticles supercrystals, Nanoscale 11, 10655


Hung J, Patra T K, Meenakshisundaram V, Mangalara J H and Simmons D S, Universal localization transition underlying glass formation: insights from efficient molecular dynamics simulations of diverse supercooled liquids, Soft Matter 15, 1223


Patra T K, Zhang F, Schulman D; Chan H, Cherukara M, Terrones M; Das S, Narayanan B, Sankaranarayanan S KRS, Defect dynamics in 2D materials probed by combining machine learning, molecular simulation and high-resolution microscopy, ACS Nano 12, 8006


Cheng Y, Yang J, Hung H, Patra T K, and Simmons D S, Design rules for highly conductive polymeric ionic liquids from molecular dynamics simulations, Macromolecules 51, 6630

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