3 papers
physics.chem-ph2025
Have you tried turning it off and on again? Stochastic resetting for enhanced sampling
Ofir Blumer, Barak Hirshberg
Molecular dynamics simulations are widely used across chemistry, physics, and biology, providing quantitative insight into complex processes with atomic detail. However, their limi…
physics.chem-ph2024
The effect of ligands on the size distribution of copper nanoclusters: insights from molecular dynamics simulations
Oren Elishav, Ofir Blumer, T. Kyle Vanderlick +1
Controlling the size distribution in the nucleation of copper particles is crucial for achieving nanocrystals with desired physical and chemical properties. However, their synthesi…
physics.chem-ph2023
Resetting Metadynamics
Ofir Blumer, Shlomi Reuveni, Barak Hirshberg
Metadynamics is a powerful method to accelerate molecular dynamics simulations, but its efficiency critically depends on the identification of collective variables that capture the…