Department of Chemical Engineering


Dr. Tarak Patra

Assistant Professor


+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


25 entries « 1 of 4 »


Bale, A A; Gautham, S M B; Patra, T K: Sequence-defined Pareto frontier of a copolymer structure. Journal of Polymer Science, 60 (14), pp. 2100-2113, 2022, ISSN: 26424150. (Type: Journal Article | Links | BibTeX)


Dwivedi, N; Neogi, A; Patra, T K; Dhand, C; Dutta, T; Yeo, R J; Kumar, R; Hashmi, S A R; Srivastava, A K; Tripathy, S; Saifullah, M S M; Sankaranarayanan, S K R S; Bhatia, C S: Angstrom-Scale Transparent Overcoats: Interfacial Nitrogen-Driven Atomic Intermingling Promotes Lubricity and Surface Protection of Ultrathin Carbon. Nano Letters, 21 (21), pp. 8960-8969, 2021, ISSN: 15306984. (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)
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)


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)
25 entries « 1 of 4 »