9 citations · 19 across the 8 of their papers we have counts for
4 papers · 1 filter
Machine Learning of Slow Collective Variables and Enhanced Sampling via Spatial Techniques
Tuğçe Gökdemir, Jakub Rydzewski
Understanding the long-time dynamics of complex physical processes depends on our ability to recognize patterns. To simplify the description of these processes, we often introduce…
A Note on Spectral Map
Tuğçe Gökdemir, Jakub Rydzewski
In molecular dynamics (MD) simulations, transitions between states are often rare events due to energy barriers that exceed the thermal temperature. Because of their infrequent occ…
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…
Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles
Jakub Rydzewski
Understanding the behavior of complex molecular systems is a fundamental problem in physical chemistry. To describe the long-time dynamics of such systems, which is responsible for…