Fluid Dynamics | Molecular Dynamics Modeling Machine learning assisted coarse-grained molecular dynamics modeling of meso-scale interfacial fluids. February 15, 2023
Computational Chemistry | Materials Science Bypassing backmapping: Coarse-grained electronic property distributions using heteroscedastic Gaussian processes. November 8, 2022
Chemistry | Materials Science | Physics Data-driven coarse-grained modeling of polymers in solution with structural and dynamic properties conserved. August 13, 2020