25 citations · 51 across the 5 of their papers we have counts for
5 papers
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…
dynsight: an Open Python Platform for Simulation and Experimental Trajectory Data Analysis
Simone Martino, Matteo Becchi, Andrew Tarzia +2
The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracti…
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…
TimeSOAP: Tracking high-dimensional fluctuations in complex molecular systems via time-variations of SOAP spectra
Cristina Caruso, Annalisa Cardellini, Martina Crippa +2
Many molecular systems and physical phenomena are controlled by local fluctuations and microscopic dynamical rearrangements of the constitutive interacting units that are often dif…
Innate Dynamics and Identity Crisis of a Metal Surface Unveiled by Machine Learning of Atomic Environments
Matteo Cioni, Daniela Polino, Daniele Rapetti +3
Metals are traditionally considered hard matter. However, it is well known that their atomic lattices may become dynamic and undergo reconfigurations even well-below the melting te…