2 papers
physics.chem-ph2024
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…
physics.chem-ph2024
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…