Numerical Methods for Molecular Photonics - the Nonlinear Nonperturbative Response of Molecules in Intense Laser Fields.
André D. BandraukH. Z. LuPublished in: HPCS (2002)
Keyphrases
- numerical methods
- molecular structure
- molecular interactions
- differential equations
- molecular structures
- partial differential equations
- virtual screening
- finite difference method
- level set method
- numerical solution
- ordinary differential equations
- approximation schemes
- finite element method
- ligand docking
- chemical reactions
- computer architecture
- computer vision
- drug discovery
- diffusion equation
- boundary value problem
- high order
- runge kutta
- image compression
- computational complexity