Grajciar, Lukáš

2 publications

ICML 2023 Differentiable Simulations for Enhanced Sampling of Rare Events Martin Sipka, Johannes C. B. Dietschreit, Lukáš Grajciar, Rafael Gomez-Bombarelli

ICMLW 2023 Optimizing Probability of Barrier Crossing with Differentiable Simulators Martin Sipka, Johannes C. B. Dietschreit, Michal Pavelka, Lukáš Grajciar, Rafael Gomez-Bombarelli