Simulating Molecular Dynamics with Large Timesteps using Recurrent Neural Networks.
J. C. S. KadupitiyaGeoffrey C. FoxVikram JadhaoPublished in: CoRR (2020)
Keyphrases
- recurrent neural networks
- molecular dynamics
- high performance computing
- scientific data
- molecular dynamics simulations
- neural network
- artificial neural networks
- echo state networks
- feed forward
- protein folding
- recurrent networks
- reservoir computing
- fluid flow
- cascade correlation
- expert systems
- numerical simulations
- fine grained
- data mining