Coarse-Graining of Molecular Dynamics Using Neural Ordinary Differential Equations.
Jakub LálaStefano Angiolleti-UbertiPublished in: EUROCON (2023)
Keyphrases
- ordinary differential equations
- molecular dynamics
- differential equations
- high performance computing
- dynamic systems
- molecular dynamics simulations
- numerical solution
- scientific data
- mathematical models
- partial differential equations
- neural network
- protein folding
- data generation
- image processing
- computer vision
- level set
- biological systems
- bayesian networks
- fluid flow
- biologically inspired
- dynamic programming
- computing systems
- database systems
- database