Articles with public access mandates - Rohit BatraLearn more
Not available anywhere: 1
Single Transition Metal Atom Catalyst for a High-Performance Li–S Battery with a Graphdiyne–Graphene Heterostructure Host: A DFT Investigation+ ML Predictions
A VG, R Batra, BRK Nanda
ACS Catalysis 14, 8874-8888, 2024
Mandates: Department of Science & Technology, India
Available somewhere: 35
Machine learning in materials informatics: recent applications and prospects
R Ramprasad, R Batra, G Pilania, A Mannodi-Kanakkithodi, C Kim
npj Computational Materials 3 (1), 54, 2017
Mandates: US Department of Energy, US Department of Defense
Machine learning force fields: construction, validation, and outlook
V Botu, R Batra, J Chapman, R Ramprasad
The Journal of Physical Chemistry C 121 (1), 511-522, 2017
Mandates: US Department of Defense
Physically informed artificial neural networks for atomistic modeling of materials
GPP Pun, R Batra, R Ramprasad, Y Mishin
Nature communications 10 (1), 2339, 2019
Mandates: US Department of Defense
Solving the electronic structure problem with machine learning
A Chandrasekaran, D Kamal, R Batra, C Kim, L Chen, R Ramprasad
npj Computational Materials 5 (1), 22, 2019
Mandates: US National Science Foundation, US Department of Defense
Emerging materials intelligence ecosystems propelled by machine learning
R Batra, L Song, R Ramprasad
Nature Reviews Materials 6 (8), 655-678, 2021
Mandates: US National Science Foundation, US Department of Energy, US Department of …
A universal strategy for the creation of machine learning-based atomistic force fields
TD Huan, R Batra, J Chapman, S Krishnan, L Chen, R Ramprasad
NPJ Computational Materials 3 (1), 37, 2017
Mandates: US National Science Foundation, US Department of Defense
Factors favoring ferroelectricity in hafnia: A first-principles computational study
R Batra, TD Huan, JL Jones, G Rossetti Jr, R Ramprasad
The Journal of Physical Chemistry C 121 (8), 4139-4145, 2017
Mandates: US National Science Foundation, US Department of Defense
Polymer informatics: Current status and critical next steps
L Chen, G Pilania, R Batra, TD Huan, C Kim, C Kuenneth, R Ramprasad
Materials Science and Engineering: R: Reports 144, 100595, 2021
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Dopants promoting ferroelectricity in hafnia: Insights from a comprehensive chemical space exploration
R Batra, TD Huan, GA Rossetti Jr, R Ramprasad
Chemistry of Materials 29 (21), 9102-9109, 2017
Mandates: US National Science Foundation, US Department of Defense
Polymer design using genetic algorithm and machine learning
C Kim, R Batra, L Chen, H Tran, R Ramprasad
Computational Materials Science 186, 110067, 2021
Mandates: US National Science Foundation, US Department of Defense
Machine-learning predictions of polymer properties with Polymer Genome
H Doan Tran, C Kim, L Chen, A Chandrasekaran, R Batra, S Venkatram, ...
Journal of Applied Physics 128 (17), 2020
Mandates: US National Science Foundation, US Department of Energy, US Department of …
Stabilization of metastable phases in hafnia owing to surface energy effects
R Batra, HD Tran, R Ramprasad
Applied Physics Letters 108 (17), 2016
Mandates: US National Science Foundation
Prediction of water stability of metal–organic frameworks using machine learning
R Batra, C Chen, TG Evans, KS Walton, R Ramprasad
Nature Machine Intelligence 2 (11), 704-710, 2020
Mandates: US Department of Energy
Machine learning models for the lattice thermal conductivity prediction of inorganic materials
L Chen, H Tran, R Batra, C Kim, R Ramprasad
Computational Materials Science 170, 109155, 2019
Mandates: US Department of Defense
Frequency-dependent dielectric constant prediction of polymers using machine learning
L Chen, C Kim, R Batra, JP Lightstone, C Wu, Z Li, AA Deshmukh, ...
npj Computational Materials 6 (1), 61, 2020
Mandates: US Department of Defense
Screening of therapeutic agents for COVID-19 using machine learning and ensemble docking studies
R Batra, H Chan, G Kamath, R Ramprasad, MJ Cherukara, ...
The journal of physical chemistry letters 11 (17), 7058-7065, 2020
Mandates: US Department of Energy
Machine learning overcomes human bias in the discovery of self-assembling peptides
R Batra, TD Loeffler, H Chan, S Srinivasan, H Cui, IV Korendovych, ...
Nature chemistry 14 (12), 1427-1435, 2022
Mandates: US Department of Energy, US National Institutes of Health
Polymers for extreme conditions designed using syntax-directed variational autoencoders
R Batra, H Dai, TD Huan, L Chen, C Kim, WR Gutekunst, L Song, ...
Chemistry of Materials 32 (24), 10489-10500, 2020
Mandates: US Department of Energy, US Department of Defense
Multifidelity information fusion with machine learning: A case study of dopant formation energies in hafnia
R Batra, G Pilania, BP Uberuaga, R Ramprasad
ACS applied materials & interfaces 11 (28), 24906-24918, 2019
Mandates: US Department of Energy, US Department of Defense
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