53 citations · 312 across the 35 of their papers we have counts for
4 papers · 1 filter
Interface and Thermophysical Properties of R32 Refrigerant
Abibat Adekoya-Olowofela, Sukriti Manna, Subramanian KRS Sankaranarayanan
Driven by the urgent demand for efficient cooling in microelectronics and advanced thermal management systems, difluoromethane (R32/CH2F2) has emerged as a promising candidate owin…
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…
Accelerating Copolymer Inverse Design using AI Gaming algorithm
Tarak K Patra, Troy D. Loeffler, Subramanian K R S Sankaranarayanan
There exists a broad class of sequencing problems, for example, in proteins and polymers that can be formulated as a heuristic search algorithm that involve decision making akin to…
Ice grains grow by dissolution, ripening and grain boundary migration
Henry Chan, Mathew J Cherukara, Badri Narayanan +3
Despite the exponential growth in computing resources and the availability of a myriad of different theoretical water models, an accurate, yet computationally efficient molecular l…