3 papers
physics.comp-ph2025
Making PLUMED fly: a tutorial on optimizing performance
Daniele Rapetti, Massimiliano Bonomi, Carlo Camilloni +2
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dyn…
physics.chem-ph2025
Using molecular dynamics to investigate the driving force for graphene auto-kirigami
Charlie M. Rawlins, Gareth A. Tribello
Experiments [1] have shown that auto-kirigami structures can grow on the surface of graphene because the graphene-graphene adhesion energy is greater than the graphene-substrate in…
physics.ed-ph2024
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
Gareth A. Tribello, Massimiliano Bonomi, Giovanni Bussi +60
In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific p…