The following pages link to CPMD (Q18247):
Displayed 12 items.
- Numerical simulation of the resonant forbidden Bragg reflection in germanium (Q549500) (← links)
- Performance evaluation of mixed-mode OpenMP/MPI implementations (Q601003) (← links)
- NMR chemical shifts in periodic systems from first principles (Q696734) (← links)
- Parallel discrete element simulation of poly-dispersed granular material (Q1046166) (← links)
- Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method (Q1399615) (← links)
- New advances in chemistry and materials science with CPMD and parallel computing (Q1575565) (← links)
- Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods (Q1605144) (← links)
- Quantum dynamics via adiabatic ab initio centroid molecular dynamics (Q1612032) (← links)
- A multiscale molecular switch model (Q1759087) (← links)
- Simulating resistance switching in amorphous carbon (Q1759144) (← links)
- Quantum Mechanics/Classical Mechanics Modeling of Biological Systems (Q3613253) (← links)
- Numerical Methods for Electronic Structure Calculations of Materials (Q5189655) (← links)