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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
1102017
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
842018
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
772017
Dynamic crosslinking compatibilizes immiscible mixed plastics
RW Clarke, T Sandmeier, KA Franklin, D Reich, X Zhang, N Vengallur, ...
Nature 616 (7958), 731-739, 2023
662023
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
612018
Data-driven methods for accelerating polymer design
TK Patra
ACS Polymers Au 2 (1), 8-26, 2021
602021
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
552019
Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: Dispersion vs. agglomeration
TK Patra, JK Singh
The Journal of Chemical Physics 138 (14), 2013
532013
Polymer directed aggregation and dispersion of anisotropic nanoparticles
TK Patra, JK Singh
Soft Matter 10 (11), 1823-1830, 2014
342014
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
332020
Accelerating copolymer inverse design using monte carlo tree search
TK Patra, TD Loeffler, SKRS Sankaranarayanan
Nanoscale 12 (46), 23653-23662, 2020
312020
dPOLY: deep learning of polymer phases and phase transition
D Bhattacharya, TK Patra
Macromolecules 54 (7), 3065-3074, 2021
302021
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, ...
ChemCatChem 12 (19), 4796-4806, 2020
282020
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
272019
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
212019
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), 2019
182019
Reinforcement learning in discrete action space applied to inverse defect design
TD Loeffler, S Banik, TK Patra, M Sternberg, SKRS Sankaranarayanan
Journal of Physics Communications 5 (3), 031001, 2021
142021
Active learning a coarse-grained neural network model for bulk water from sparse training data
TD Loeffler, TK Patra, H Chan, SKRS Sankaranarayanan
Molecular Systems Design & Engineering 5 (5), 902-910, 2020
142020
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), 2011
132011
Forecasting the experimental glass transition from short time relaxation data
JH Hung, TK Patra, DS Simmons
Journal of Non-Crystalline Solids 544, 120205, 2020
122020
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