Showing 1–11 of 11 results
/ Date/ Name
Aug 6, 2024Multiscale modeling framework of a constrained fluid with complex boundaries using twin neural networksJul 13, 2019A New Approach For Learning Coarse-Grained Potentials with Application to Immiscible FluidsMar 5, 2019MARTINI-based Coarse-grained Model for Poly(alpha-peptoid)sApr 20, 2018A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomnessAug 9, 2023Direct and in situ examination of Li+ transport kinetics in isotope labelled solid electrolyte interphaseOct 16, 2024FragNet: A Graph Neural Network for Molecular Property Prediction with Four Levels of InterpretabilityDec 13, 2023Physics-Guided Continual Learning for Predicting Emerging Aqueous Organic Redox Flow Battery Material PerformanceSep 2, 2023Physics-informed machine learning of the correlation functions in bulk fluidsApr 22, 2023Direct in-situ measurement of electrical properties of solid electrolyte interphase on lithium metal anodeMay 29, 2017Atomic radius and charge parameter uncertainty in biomolecular solvation energy calculationsJun 15, 2021Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery