Tarak Patra
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Neural-network-biased genetic algorithms for materials design: evolutionary algorithms that learn
TK Patra, V Meenakshisundaram, JH Hung, DS Simmons
ACS combinatorial science 19 (2), 96-107, 2017
Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: Dispersion vs. agglomeration
TK Patra, JK Singh
The Journal of chemical physics 138 (14), 144901, 2013
Defect Dynamics in 2-D MoS2 Probed by Using Machine Learning, Atomistic Simulations, and High-Resolution Microscopy
TK Patra, F Zhang, DS Schulman, H Chan, MJ Cherukara, M Terrones, ...
ACS nano 12 (8), 8006-8016, 2018
Design rules for highly conductive polymeric ionic liquids from molecular dynamics simulations
Y Cheng, J Yang, JH Hung, TK Patra, DS Simmons
Macromolecules 51 (17), 6630-6644, 2018
Designing sequence-specific copolymer compatibilizers using a molecular-dynamics-simulation-based genetic algorithm
V Meenakshisundaram, JH Hung, TK Patra, DS Simmons
Macromolecules 50 (3), 1155-1166, 2017
Universal localization transition accompanying glass formation: Insights from efficient molecular dynamics simulations of diverse supercooled liquids
JH Hung, TK Patra, V Meenakshisundaram, JH Mangalara, DS Simmons
Soft Matter 15 (6), 1223-1242, 2019
Polymer directed aggregation and dispersion of anisotropic nanoparticles
TK Patra, JK Singh
Soft Matter 10 (11), 1823-1830, 2014
Active learning the potential energy landscape for water clusters from sparse training data
TD Loeffler, TK Patra, H Chan, M Cherukara, SKRS Sankaranarayanan
The Journal of Physical Chemistry C 124 (8), 4907-4916, 2020
A coarse-grained deep neural network model for liquid water
TK Patra, TD Loeffler, H Chan, MJ Cherukara, B Narayanan, ...
Applied Physics Letters 115 (19), 193101, 2019
Vapor-liquid phase coexistence and transport properties of two-dimensional oligomers
TK Patra, A Hens, JK Singh
The Journal of chemical physics 137 (8), 084701, 2012
Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices
TK Patra, H Chan, P Podsiadlo, EV Shevchenko, ...
Nanoscale 11 (22), 10655-10666, 2019
Surface electrophoresis of ds-DNA across orthogonal pair of surfaces
A Ghosh, TK Patra, R Kant, RK Singh, JK Singh, S Bhattacharya
Applied Physics Letters 98 (16), 164102, 2011
Slippery and wear-resistant surfaces enabled by interface engineered graphene
N Dwivedi, T Patra, JB Lee, RJ Yeo, S Srinivasan, T Dutta, K Sasikumar, ...
Nano letters 20 (2), 905-917, 2019
Understanding wetting transitions using molecular simulation
TK Patra, S Khan, R Srivastava, JK Singh
Nanoscale and Microscale Phenomena, 139-166, 2015
Active Learning A Neural Network Model For Gold Clusters\& Bulk From Sparse First Principles Training Data
TD Loeffler, S Manna, TK Patra, H Chan, B Narayanan, ...
arXiv preprint arXiv:2006.03674, 2020
Understanding adsorption behavior of silica nanoparticles over a cellulose surface in an aqueous medium
P Katiyar, TK Patra, JK Singh, D Sarkar, A Pramanik
Chemical Engineering Science 141, 293-303, 2016
Locating phase transitions in computationally hard problems
B Ashok, TK Patra
Pramana 75 (3), 549-563, 2010
Localization and stretching of polymer chains at the junction of two surfaces
TK Patra, JK Singh
The Journal of chemical physics 140 (20), 204909, 2014
Accelerating copolymer inverse design using monte carlo tree search
TK Patra, TD Loeffler, SKRS Sankaranarayanan
Nanoscale 12 (46), 23653-23662, 2020
Substrate directed self-assembly of anisotropic nanoparticles
TK Patra, P Katiyar, JK Singh
Chemical Engineering Science 121, 16-22, 2015
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Articles 1–20