Department of Chemical Engineering

tpatra

Dr. Tarak Patra


 

Assistant Professor

NAC447

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

21 entries « 1 of 3 »

2021

Loeffler, T D; Banik, S; Patra, T K; Sternberg, M; Sankaranarayanan, S K R S: Reinforcement learning in discrete action space applied to inverse defect design. Journal of Physics Communications, 5 (3), 2021, ISSN: 23996528. (Type: Journal Article | Links | BibTeX)
Bhattacharya, D; Patra, T K: DPOLY: Deep Learning of Polymer Phases and Phase Transition. Macromolecules, 54 (7), pp. 3065-3074, 2021, ISSN: 00249297. (Type: Journal Article | Links | BibTeX)

2020

Patra, T K; Loeffler, T D; Sankaranarayanan, S K R S: Accelerating copolymer inverse design using monte carlo tree search. Nanoscale, 12 (46), pp. 23653-23662, 2020, ISSN: 20403364. (Type: Journal Article | Links | BibTeX)
Loeffler, T D; Manna, S; Patra, T K; Chan, H; Narayanan, B; Sankaranarayanan, S: Active Learning A Neural Network Model For Gold Clusters & Bulk From Sparse First Principles Training Data. ChemCatChem, 12 (19), pp. 4796-4806, 2020, ISSN: 18673880. (Type: Journal Article | Links | BibTeX)
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)

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)
21 entries « 1 of 3 »