Department of Chemical Engineering

tpatra

Dr. Tarak Patra



Assistant Professor

MSB 122

tpatra@iitm.ac.in

+91 44 22574162

Personal Website

Research Areas


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


Publication

26 entries « 2 of 4 »

2020

Hung, J -H; Patra, T K; Simmons, D S: Forecasting the experimental glass transition from short time relaxation data. Journal of Non-Crystalline Solids, 544 , 2020, ISSN: 00223093. (Type: Journal Article | Links | BibTeX)
Loeffler, T D; Patra, T K; Chan, H; Sankaranarayanan, S K R S: Active learning a coarse-grained neural network model for bulk water from sparse training data. Molecular Systems Design and Engineering, 5 (5), pp. 902-910, 2020, ISSN: 20589689. (Type: Journal Article | Links | BibTeX)
Loeffler, T D; Patra, T K; Chan, H; Cherukara, M; Sankaranarayanan, S K R S: Active Learning the Potential Energy Landscape for Water Clusters from Sparse Training Data. Journal of Physical Chemistry C, 124 (8), pp. 4907-4916, 2020, ISSN: 19327447. (Type: Journal Article | Links | BibTeX)

2019

Patra, T K; Loeffler, T D; Chan, H; Cherukara, M J; Narayanan, B; Sankaranarayanan, S K R S: A coarse-grained deep neural network model for liquid water. Applied Physics Letters, 115 (19), 2019, ISSN: 00036951. (Type: Journal Article | Links | BibTeX)
Patra, T K; Chan, H; Podsiadlo, P; Shevchenko, E V; Sankaranarayanan, S K R S; Narayanan, B: Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices. Nanoscale, 11 (22), pp. 10655-10666, 2019, ISSN: 20403364. (Type: Journal Article | Links | BibTeX)
Hung, J -H; Patra, T K; Meenakshisundaram, V; Mangalara, J H; Simmons, D S: Universal localization transition accompanying glass formation: Insights from efficient molecular dynamics simulations of diverse supercooled liquids. Soft Matter, 15 (6), pp. 1223-1242, 2019, ISSN: 1744683X. (Type: Journal Article | Links | BibTeX)

2018

Cheng, Y; Yang, J; Hung, J -H; Patra, T K; Simmons, D S: Design Rules for Highly Conductive Polymeric Ionic Liquids from Molecular Dynamics Simulations. Macromolecules, 51 (17), pp. 6630-6644, 2018, ISSN: 00249297. (Type: Journal Article | Links | BibTeX)
26 entries « 2 of 4 »