47 citations · 108 across the 28 of their papers we have counts for
3 papers · 1 filter
Predicting Pair Correlation Functions of Glasses using Machine Learning
Kumar Ayush, Pooja Sahu, Sk Musharaf Ali +1
Glasses offer a broad range of tunable thermophysical properties that are linked to their compositions. However, it is challenging to establish a universal composition-property rel…
Explainability and Transferability of Machine Learning Models for Predicting the Glass Transition Temperature of Polymers
Agrim Babbar, Sriram Ragunathan, Debirupa Mitra +2
Machine learning offers promising tools to develop surrogate models for polymer structure-property relations. Surrogate models can be built upon existing polymer data and are usefu…
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…