3 papers
cs.CE2026
Physics-constrained Gaussian Processes for Predicting Shockwave Hugoniot Curves
George D. Pasparakis, Himanshu Sharma, Rushik Desai +4
A physics-constrained Gaussian Process regression framework is developed for predicting shocked material states and their associated uncertainties along the Hugoniot curve using da…
cond-mat.mtrl-sci2025
Bridging the Synthesizability Gap in Perovskites by Combining Computations, Literature Data, and PU Learning
Rushik Desai, Junyeong Ahn, Alejandro Strachan +1
Among emerging energy materials, halide and chalcogenide perovskites have garnered significant attention over the last decade owing to the abundance of their constituent species, l…
cond-mat.mtrl-sci2025
Exploring the defect landscape and dopability of chalcogenide perovskite BaZrS3
Rushik Desai, Shubhanshu Agarwal, Kiruba Catherine Vincent +3
BaZrS3 is a chalcogenide perovskite that has shown promise as a photovoltaic absorber, but its performance is limited because of defects and impurities that have a direct influence…