Biblio

Found 5 results
Filters: Author is Wang, Wujie  [Clear All Filters]
2020
S. Jun Ang, Wang, W., Schwalbe-Koda, D., Axelrod, S., and Gómez-Bombarelli, R., “Active Learning Accelerates Ab Initio Molecular Dynamics on Pericyclic Reactive Energy Surfaces”, 2020.
W. Wang, Yang, T., Harris, W. Hunt, and Gómez-Bombarelli, R., “Active Learning and Neural Network Potentials Accelerate Molecular Screening of Ether-based Solvate Ionic Liquids”, Chemical Communications, 2020.
W. Wang, Axelrod, S., and Gómez-Bombarelli, R., “Differentiable Molecular Simulations for Control and Learning”, 2020.
J. Ruza, Wang, W., Schwalbe-Koda, D., Axelrod, S., Harris, W. Hunt, and Gómez-Bombarelli, R., “Temperature-transferable coarse-graining of ionic liquids with dual graph convolutional neural networks”, 2020.
2019
W. Wang and Gómez-Bombarelli, R., “Coarse-graining auto-encoders for molecular dynamics”, NPJ Computational Materials, vol. 5, no. 1, p. 125, 2019.