Login / Signup
Overcoming the timescale barrier in molecular dynamics: Transfer operators, variational principles and machine learning.
Christof Schütte
Stefan Klus
Carsten Hartmann
Published in:
Acta Numer. (2023)
Keyphrases
</>
molecular dynamics
machine learning
transfer learning
high performance computing
scientific data
protein folding
active learning
molecular dynamics simulations
reinforcement learning
learning algorithm
fluid flow
computing resources
fine grained
building blocks
access control
text classification
semi supervised