Hysteresis-Free Temperature Sensing with Printable Electronic Skins Made of Liquid Polyisoprene/CNTs
Author: Selvan T, Muthamil and Haridas C P, Ajay and Karmakar, Sayani and Patra, Tarak K. and Mondal, Titash
Journal: ACS Applied Materials and Interfaces
Volume: 16
Page: 48176 – 48186
Year: 2024
Accelerated Sequence Design of Star Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning
Author: Carrillo, Jan-Michael Y. and Parambil, Vijith and Patra, Tarak K. and Chen, Zhan and Russell, Thomas P. and Sankaranarayanan, Subramanian K. R. S. and Sumpter, Bobby G. and Batra, Rohit
Journal: Journal of Physical Chemistry B
Volume: 128
Page: 4220 – 4230
Year: 2024
Molecular Mechanism of Reversible Gas Adsorption and Selectivity in ZIF-90
Author: Bose, Rimita and Yacham, Ashok and Patra, Tarak K. and Varghese, Jithin John and Selvam, Parasuraman and Kaisare, Niket S.
Journal: Journal of Physical Chemistry C
Volume: 128
Page: 13207 – 13216
Year: 2024
Understanding Ion Distribution and Diffusion in Solid Polymer Electrolytes
Author: Rajahmundry, Ganesh K. and Patra, Tarak K.
Journal: Langmuir
Volume: 40
Page: 18942 – 18949
Year: 2024
Explainability and extrapolation of machine learning models for predicting the glass transition temperature of polymers
Author: Babbar, Agrim and Ragunathan, Sriram and Mitra, Debirupa and Dutta, Arnab and Patra, Tarak K.
Journal: Journal of Polymer Science
Volume: 62
Page: 1175 – 1186
Year: 2024
Developing efficient deep learning model for predicting copolymer properties
Author: Himanshu, None and Chakraborty, Kaushik and Patra, Tarak K.
Journal: Physical Chemistry Chemical Physics
Volume: 25
Page: 25166 – 25176
Year: 2023
Predicting the pair correlation functions of silicate and borosilicate glasses using machine learning
Author: Ayush, Kumar and Sahu, Pooja and Ali, Sk. Musharaf and Patra, Tarak K.
Journal: Physical Chemistry Chemical Physics
Volume: 26
Page: 1094 – 1104
Year: 2023
nanoNET: machine learning platform for predicting nanoparticles distribution in a polymer matrix
Author: Ayush, Kumar and Seth, Abhishek and Patra, Tarak K
Author: Clarke, Ryan W. and Sandmeier, Tobias and Franklin, Kevin A. and Reich, Dominik and Zhang, Xiao and Vengallur, Nayan and Patra, Tarak K. and Tannenbaum, Robert J. and Adhikari, Sabin and Kumar, Sanat K. and Rovis, Tomislav and Chen, Eugene Y.-X.
Journal: Nature
Volume: 616
Page: 731 – 739
Year: 2023
Correction: Accelerating copolymer inverse design using monte carlo tree search (Nanoscale (2020) 12 (23653-23662) DOI: 10.1039/D0NR06091G)
Author: Patra, Tarak K. and Loeffler, Troy D. and Sankaranarayanan, Subramanian K. R. S.
Journal: Nanoscale
Volume: 15
Page: 16227
Year: 2023
Polymer sequence design via molecular simulation-based active learning
Author: Ramesh, Praneeth S and Patra, Tarak K
Journal: Soft Matter
Year: 2022
Sequence-defined Pareto frontier of a copolymer structure
Author: Bale, Ashwin A. and Gautham, Sachin M. B. and Patra, Tarak K.
Journal: Journal of Polymer Science
Volume: 60
Page: 2100 – 2113
Year: 2022
Deep learning potential of mean force between polymer grafted nanoparticles
Author: Gautham, Sachin M. B. and Patra, Tarak K.
Journal: Soft Matter
Volume: 18
Page: 7909 – 7916
Year: 2022
Angstrom-Scale Transparent Overcoats: Interfacial Nitrogen-Driven Atomic Intermingling Promotes Lubricity and Surface Protection of Ultrathin Carbon
Author: Dwivedi, Neeraj and Neogi, Arnab and Patra, Tarak K. and Dhand, Chetna and Dutta, Tanmay and Yeo, Reuben J. and Kumar, Rajeev and Hashmi, S.A.R. and Srivastava, A.K. and Tripathy, Sudhiranjan and Saifullah, Mohammad S. M. and Sankaranarayanan, Subramanian K. R. S. and Bhatia, Charanjit S.
Journal: Nano Letters
Volume: 21
Page: 8960 – 8969
Year: 2021
DPOLY: Deep Learning of Polymer Phases and Phase Transition
Author: Bhattacharya, Debjyoti and Patra, Tarak K.
Journal: Macromolecules
Volume: 54
Page: 3065 – 3074
Year: 2021
Reinforcement learning in discrete action space applied to inverse defect design
Author: Loeffler, Troy D. and Banik, Suvo and Patra, Tarak K. and Sternberg, Michael and Sankaranarayanan, Subramanian K R S.
Journal: Journal of Physics Communications
Volume: 5
Year: 2021
Active learning a coarse-grained neural network model for bulk water from sparse training data
Author: Loeffler, Troy D. and Patra, Tarak K. and Chan, Henry and Sankaranarayanan, Subramanian K.R.S.
Journal: Molecular Systems Design and Engineering
Volume: 5
Page: 902 – 910
Year: 2020
Active Learning the Potential Energy Landscape for Water Clusters from Sparse Training Data
Author: Loeffler, Troy D. and Patra, Tarak K. and Chan, Henry and Cherukara, Mathew and Sankaranarayanan, Subramanian K. R. S.
Journal: Journal of Physical Chemistry C
Volume: 124
Page: 4907 – 4916
Year: 2020
Forecasting the experimental glass transition from short time relaxation data
Author: Hung, Jui-Hsiang and Patra, Tarak K. and Simmons, David S.
Journal: Journal of Non-Crystalline Solids
Volume: 544
Year: 2020
Active Learning A Neural Network Model For Gold Clusters & Bulk From Sparse First Principles Training Data
Author: Loeffler, Troy D. and Manna, Sukriti and Patra, Tarak K. and Chan, Henry and Narayanan, Badri and Sankaranarayanan, Subramanian
Journal: ChemCatChem
Volume: 12
Page: 4796 – 4806
Year: 2020
Slippery and Wear-Resistant Surfaces Enabled by Interface Engineered Graphene
Author: Dwivedi, Neeraj and Patra, Tarak and Lee, Jae-Bok and Yeo, Reuben J. and Srinivasan, Srilok and Dutta, Tanmay and Sasikumar, Kiran and Dhand, Chetna and Tripathy, Sudhiranjan and Saifullah, Mohammad S. M. and Danner, Aaron and Hashmi, S.A.R. and Srivastava, A.K. and Ahn, Jong-Hyun and Sankaranarayanan, Subramanian K. R. S. and Yang, Hyunsoo and Bhatia, Charanjit S.
Journal: Nano Letters
Volume: 20
Page: 905 – 917
Year: 2020
Accelerating copolymer inverse design using monte carlo tree search
Author: Patra, Tarak K. and Loeffler, Troy D. and Sankaranarayanan, Subramanian K.R.S.
Journal: Nanoscale
Volume: 12
Page: 23653 – 23662
Year: 2020
Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices
Author: Patra, Tarak K. and Chan, Henry and Podsiadlo, Paul and Shevchenko, Elena V. and Sankaranarayanan, Subramanian K. R. S. and Narayanan, Badri
Journal: Nanoscale
Volume: 11
Page: 10655 – 10666
Year: 2019
A coarse-grained deep neural network model for liquid water
Author: Patra, Tarak K and Loeffler, Troy D. and Chan, Henry and Cherukara, Mathew J. and Narayanan, Badri and Sankaranarayanan, Subramanian K. R. S.
Journal: Applied Physics Letters
Volume: 115
Year: 2019
Universal localization transition accompanying glass formation: Insights from efficient molecular dynamics simulations of diverse supercooled liquids
Author: Hung, Jui-Hsiang and Patra, Tarak K. and Meenakshisundaram, Venkatesh and Mangalara, Jayachandra Hari and Simmons, David S.
Journal: Soft Matter
Volume: 15
Page: 1223 – 1242
Year: 2019
Design Rules for Highly Conductive Polymeric Ionic Liquids from Molecular Dynamics Simulations
Author: Cheng, Yizi and Yang, Junhong and Hung, Jui-Hsiang and Patra, Tarak K. and Simmons, David S.
Journal: Macromolecules
Volume: 51
Page: 6630 – 6644
Year: 2018
Defect dynamics in 2-D MoS2 probed by using machine learning, atomistic simulations, and high-resolution microscopy
Author: Patra, Tarak K. and Zhang, Fu and Schulman, Daniel S. and Chan, Henry and Cherukara, Mathew J. and Terrones, Mauricio and Das, Saptarshi and Narayanan, Badri and Sankaranarayanan, Subramanian K. R. S.
Journal: ACS Nano
Volume: 12
Page: 8006 – 8016
Year: 2018
Designing Sequence-Specific Copolymer Compatibilizers Using a Molecular-Dynamics-Simulation-Based Genetic Algorithm
Author: Meenakshisundaram, Venkatesh and Hung, Jui-Hsiang and Patra, Tarak K. and Simmons, David S.
Journal: Macromolecules
Volume: 50
Page: 1155 – 1166
Year: 2017
Neural-Network-Biased Genetic Algorithms for Materials Design: Evolutionary Algorithms That Learn
Author: Patra, Tarak K. and Meenakshisundaram, Venkatesh and Hung, Jui-Hsiang and Simmons, David S.
Journal: ACS Combinatorial Science
Volume: 19
Page: 96 – 107
Year: 2017
Understanding adsorption behavior of silica nanoparticles over a cellulose surface in an aqueous medium
Author: Katiyar, Parul and Patra, Tarak K. and Singh, Jayant K. and Sarkar, Deboleena and Pramanik, Amitava
Journal: Chemical Engineering Science
Volume: 141
Page: 293 – 303
Year: 2016
Substrate directed self-assembly of anisotropic nanoparticles
Author: Patra, Tarak K. and Katiyar, Parul and Singh, Jayant K.
Journal: Chemical Engineering Science
Volume: 121
Page: 16 – 22
Year: 2015
Understanding wetting transitions using molecular simulation
Author: Patra, Tarak K. and Khan, Sandip and Srivastava, Rajat and Singh, Jayant K.
Journal: Springer Tracts in Mechanical Engineering
Volume: 10
Page: 139 – 166
Year: 2015
Polymer directed aggregation and dispersion of anisotropic nanoparticles
Author: Patra, Tarak K. and Singh, Jayant K.
Journal: Soft Matter
Volume: 10
Page: 1823 – 1830
Year: 2014
Localization and stretching of polymer chains at the junction of two surfaces
Author: Patra, Tarak K. and Singh, Jayant K.
Journal: Journal of Chemical Physics
Volume: 140
Year: 2014
Coarse-grain molecular dynamics simulations of nanoparticle-polymer melt: Dispersion vs. agglomeration
Author: Patra, Tarak K. and Singh, Jayant K.
Journal: Journal of Chemical Physics
Volume: 138
Year: 2013
Vapor-liquid phase coexistence and transport properties of two-dimensional oligomers
Author: Patra, Tarak K. and Hens, Abhiram and Singh, Jayant K.
Journal: Journal of Chemical Physics
Volume: 137
Year: 2012
Surface electrophoresis of ds-DNA across orthogonal pair of surfaces
Author: Ghosh, Arnab and Patra, Tarak K. and Kant, Rishi and Singh, Rajeev Kr. and Singh, Jayant K. and Bhattacharya, Shantanu
Journal: Applied Physics Letters
Volume: 98
Year: 2011
Locating phase transitions in computationally hard problems
