265 citations · 457 across the 6 of their papers we have counts for
4 papers · 1 filter
Computational framework for polymer synthesis to study dielectric properties using polarizable reactive molecular dynamics
Ankit Mishra, Lihua Chen, ZongZe Li +11
The increased energy and power density required in modern electronics poses a challenge for designing new dielectric polymer materials with high energy density while maintaining lo…
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…
Polymer Informatics with Multi-Task Learning
Christopher Künneth, Arunkumar Chitteth Rajan, Huan Tran +3
Modern data-driven tools are transforming application-specific polymer development cycles. Surrogate models that can be trained to predict the properties of new polymers are becomi…