28 citations · 29 across the 3 of their papers we have counts for
3 papers
Temporally coherent backmapping of molecular trajectories from coarse-grained to atomistic resolution
Kirill Shmilovich, Marc Stieffenhofer, Nicholas E. Charron +1
Coarse-graining offers a means to extend the achievable time and length scales of molecular dynamics simulations beyond what is practically possible in the atomistic regime. Sampli…
Adversarial reverse mapping of condensed-phase molecular structures: Chemical transferability
Marc Stieffenhofer, Tristan Bereau, Michael Wand
Switching between different levels of resolution is essential for multiscale modeling, but restoring details at higher resolution remains challenging. In our previous study we have…
Adversarial Reverse Mapping of Equilibrated Condensed-Phase Molecular Structures
Marc Stieffenhofer, Michael Wand, Tristan Bereau
A tight and consistent link between resolutions is crucial to further expand the impact of multiscale modeling for complex materials. We herein tackle the generation of condensed m…