Maturity of gray matter structures and white matter connectomes, and their relationship with psychiatric symptoms in youth Publications PubMed
Vapor–liquid equilibrium of water with the MB-pol many-body potential Publications The Journal of Chemical Physics
Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials Publications NPJ Computational Materials
Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning Publications Creative Commons
Learning in Continuous Action Space for Developing High Dimensional Potential Energy Models Publications Nature Communications
Learning with Delayed Rewards—A Case Study on Inverse Defect Design in 2D Materials Publications American Chemical Society