2 papers
physics.bio-ph2024
Multiscale Biomolecular Simulations in the Exascale Era
David Carrasco-Busturia, Emiliano Ippoliti, Simone Meloni +2
The complexity of biological systems and processes, spanning molecular to macroscopic scales, necessitates the use of multiscale simulations to get a comprehensive understanding. Q…
physics.chem-ph2024
MiMiC: A High-Performance Framework for Multiscale Molecular Dynamics Simulations
Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė +13
MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory.…