Methods for Materials Discovery II

4:30 PM • 2228 • Generative adversarial networks for microstrucute generation: A primer to Process-Structure linkage. > G. Gowtham NIMMAL HARIBABU (Bengaluru) 5:00 PM • 1057 • Multiscale modelling to study the evolution of texture and associated deformation mechanism during single point incremental forming > R. Rahul RAKSHIT (Kharagpur) 5:15 PM • 451 • A computational approach for the exciton diffusion in organic solar cells based on first-principles molecular dynamics > C. Cheick Oumar DIARRA (Strasbourg) 5:30 PM • 761 • Efficient and reliable first-principles calculation method for evaluating electronic transport in complex materials > Z. Zhen LI (Coventry) 5:45 PM • 191 • A Combined DFT and Machine Learning-Driven Discovery of g-C3N4 based Single Atom Catalysts for Efficient Hydrogen Generation > M. Mullapudi V JYOTHIRMAI (Kanpur) 6:00 PM • 250 • Predicting PV-PEC promising materials based on chemical composition: data-driven accelerated machine learning study > C. Chihun KIM (Seoul) 6:15 PM • 394 • Accelerated design for magnetocaloric performance in Mn-Fe-P-Si compounds using machine learning > D. Defang TU (Shanghai)