Phonon absorbing boundary conditions for molecular dynamics.
Murthy N. GuddatiSenganal ThirunavukkarasuPublished in: J. Comput. Phys. (2009)
Keyphrases
- boundary conditions
- molecular dynamics
- scientific data
- high performance computing
- protein folding
- molecular dynamics simulations
- shape from shading
- sufficient conditions
- finite element model
- boundary value problem
- poisson equation
- fine grained
- finite element method
- spline interpolation
- massively parallel
- data analysis
- blood flow
- fluid flow
- data management
- active learning