Finite element interpolation for combined classical/quantum mechanical molecular dynamics simulations.
Christian D. BerwegerWilfred F. van GunsterenFlorian Müller-PlathePublished in: J. Comput. Chem. (1997)
Keyphrases
- finite element
- quantum mechanics
- finite element model
- molecular dynamics simulations
- finite element analysis
- molecular dynamics
- finite difference
- boundary element
- numerical solution
- mesh generation
- finite element method
- material properties
- soft tissue
- gpu accelerated
- shear stress
- mechanical properties
- image sequences
- surgical simulation
- fine grained