64 citations · 144 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2023★ 44 cited
A reactive neural network framework for water-loaded acidic zeolites
Andreas Erlebach, Martin Šípka, Indranil Saha +3
Under operating conditions, the dynamics of water and ions confined within protonic aluminosilicate zeolite micropores are responsible for many of their properties, including hydro…
physics.chem-ph2023★ 4 cited
Differentiable Simulations for Enhanced Sampling of Rare Events
Martin Šípka, Johannes C. B. Dietschreit, Lukáš Grajciar +1
Simulating rare events, such as the transformation of a reactant into a product in a chemical reaction typically requires enhanced sampling techniques that rely on heuristically ch…