2 citations · 2 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2025
Transferable Generative Models Bridge Femtosecond to Nanosecond Time-Step Molecular Dynamics
Juan Viguera Diez, Mathias Schreiner, Simon Olsson
Understanding molecular structure, dynamics, and reactivity requires bridging processes that occur across widely separated time scales. Conventional molecular dynamics simulations…
physics.chem-ph2024★ 2 cited
Boltzmann priors for Implicit Transfer Operators
Juan Viguera Diez, Mathias Schreiner, Ola Engkvist +1
Accurate prediction of thermodynamic properties is essential in drug discovery and materials science. Molecular dynamics (MD) simulations provide a principled approach to this task…