265 citations · 369 across the 13 of their papers we have counts for
13 papers
Accelerated Design of Block Copolymers: An Unbiased Exploration Strategy via Fusion of Molecular Dynamics Simulations and Machine Learning
Jan Michael Y. Carrillo, Vijith P, Tarak K. Patra +5
Star block copolymers (s-BCPs) have potential applications as novel surfactants or amphiphiles for emulsification, compatbilization, chemical transformations and separations. s-BCP…
Efficient Probabilistic Computing with Stochastic Perovskite Nickelates
Tae Joon Park, Kemal Selcuk, Hai-Tian Zhang +8
Probabilistic computing has emerged as a viable approach to solve hard optimization problems. Devices with inherent stochasticity can greatly simplify their implementation in elect…
Learning with Delayed Rewards -- A case study on inverse defect design in 2D materials
Suvo Banik, Troy D Loeffler, Rohit Batra +3
Defect dynamics in materials are of central importance to a broad range of technologies from catalysis to energy storage systems to microelectronics. Material functionality depends…
Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders
Rohit Batra, Hanjun Dai, Tran Doan Huan +5
The design/discovery of new materials is highly non-trivial owing to the near-infinite possibilities of material candidates, and multiple required property/performance objectives.…
Polymer Informatics: Current Status and Critical Next Steps
Lihua Chen, Ghanshyam Pilania, Rohit Batra +4
Artificial intelligence (AI) based approaches are beginning to impact several domains of human life, science and technology. Polymer informatics is one such domain where AI and mac…
Screening of Therapeutic Agents for COVID-19 using Machine Learning and Ensemble Docking Simulations
Rohit Batra, Henry Chan, Ganesh Kamath +3
The world has witnessed unprecedented human and economic loss from the COVID-19 disease, caused by the novel coronavirus SARS-CoV-2. Extensive research is being conducted across th…