1Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA; 1Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA; 2Mathematical Institute, Faculty of Mathematics and Physics, Charles University, Sokolovsk ´a 83, 186 75 Prague, Czech Republic; 3Department of Physical and Macromolecular Chemistry, Faculty of Sciences, Charles University, 128 43 Prague 2, Czech Republic; 3Department of Physical and Macromolecular Chemistry, Faculty of Sciences, Charles University, 128 43 Prague 2, Czech Republic
Martin Šípka, Johannes C. B. Dietschreit, Lukáš Grajciar, Rafael Gómez-Bombarelli
Differentiable Simulations for Enhanced Sampling of Rare Events