Rohit Batra

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 8

Top Topics

Molecular Dynamics Simulations

Machine Learning

Drug Administration

Perovskite Solar Cells

Top Venues

The journal of physical chemistry. B

The journal of physical chemistry letters

Nature chemistry

ACS applied materials & interfaces

This page only lists publications with an associated author ORCID identifier.

Publications

Jan-Michael Y Carrillo, Vijith Parambil, Tarak K Patra, Zhan Chen, Thomas P Russell, Subramanian K R S Sankaranarayanan, Bobby G Sumpter, Rohit Batra
Accelerated Sequence Design of Star Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning. The journal of physical chemistry. B (2024)
Jan-Michael Y Carrillo, Vijith Parambil, Tarak K Patra, Zhan Chen, Thomas P Russell, Subramanian K R S Sankaranarayanan, Bobby G Sumpter, Rohit Batra
Accelerated Sequence Design of Star Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning. The journal of physical chemistry. B 128 (17) (2024)
Rohit Batra, Troy D Loeffler, Henry Chan, Srilok Srinivasan, Honggang Cui, Ivan V Korendovych, Vikas Nanda, Liam C Palmer, Lee A Solomon, H Christopher Fry, Subramanian K R S Sankaranarayanan
Machine learning overcomes human bias in the discovery of self-assembling peptides. Nature chemistry (2022)
Aditya Koneru, Rohit Batra, Sukriti Manna, Troy David Loeffler, Henry Chan, Michael Sternberg, Anthony Avarca, Harpal Singh, Mathew J Cherukara, Subramanian K R S Sankaranarayanan
Multi-reward Reinforcement Learning Based Bond-Order Potential to Study Strain-Assisted Phase Transitions in Phosphorene. The journal of physical chemistry letters 13 (7) (2022)
Srilok Srinivasan, Rohit Batra, Henry Chan, Ganesh Kamath, Mathew J Cherukara, Subramanian K R S Sankaranarayanan
Artificial Intelligence-Guided De Novo Molecular Design Targeting COVID-19. ACS omega 6 (19) (2021)
Rohit Batra, Henry Chan, Ganesh Kamath, Rampi Ramprasad, Mathew J Cherukara, Subramanian K R S Sankaranarayanan
Screening of Therapeutic Agents for COVID-19 Using Machine Learning and Ensemble Docking Studies. The journal of physical chemistry letters 11 (17) (2020)
Shruti Venkatram, Rohit Batra, Lihua Chen, Chiho Kim, Madeline Shelton, Rampi Ramprasad
Predicting Crystallization Tendency of Polymers Using Multifidelity Information Fusion and Machine Learning. The journal of physical chemistry. B 124 (28) (2020)
Rohit Batra, Ghanshyam Pilania, Blas Pedro Uberuaga, Rampi Ramprasad
Multifidelity Information Fusion with Machine Learning: A Case Study of Dopant Formation Energies in Hafnia. ACS applied materials & interfaces 11 (28) (2019)