265 citations · 369 across the 13 of their papers we have counts for
5 papers · 1 filter
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…
Machine Learning the Metastable Phase Diagram of Materials
Srilok Srinivasan, Rohit Batra, Duan Luo +8
Phase diagrams are an invaluable tool for material synthesis and provide information on the phases of the material at any given thermodynamic condition. Conventional phase diagram…
Machine Learning for Multi-fidelity Scale Bridging and Dynamical Simulations of Materials
Rohit Batra, Subramanian Sankaranarayanan
Molecular dynamics (MD) is a powerful and popular tool for understanding the dynamical evolution of materials at the nano and mesoscopic scales. There are various flavors of MD ran…