Silvina Caíno-Lores, Michel A. Cuendet, Jack Marquez, Ekaterina D. Kots, Trilce Estrada, Ewa Deelman, Harel Weinstein, Michela Taufer. Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables. In Axel Huebl, Cristina Silvano, Timothy Robinson, editors, Proceedings of the Platform for Advanced Scientific Computing Conference, PASC 2023, Davos, Switzerland, June 26-28, 2023. ACM, 2023. [doi]
Abstract is missing.