Skip to main content

Tarak K Patra

Postdoctoral Appointee

Materials Design | Machine Learning | Materials Physics


Tarak Patra is currently a post-doctoral appointee at the Center for Nanoscale Materials at Argonne National Laboratory. He received his PhD from IIT Kanpur in 2014. Patra worked in the Department of Polymer Engineering at the University of Akron as a post-doctoral fellow before moving to his current position. He employs theory, computer simulation, machine learning, and high-throughput characterization to advance the understanding and design of soft and nano materials.

Selected Publications

  1. 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 (2019)
  2. 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 (2019)
  3. 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 (2018)
  4. 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 (2018)
  5. Patra T K, Meenakshisundaram V, Hung J, and Simmons D S, Neural network biased genetic algorithm for materials design: Evolutionary algorithms that learn, ACS Combinatorial Science 19, 96 (2017)
  6. Patra T K and Singh J K, Coarse-grain molecular dynamics simulations of nanoparticle-polymer melts: Dispersion vs. Agglomeration, Journal of Chemical Physics 138, 144901 (2013)