CPMD
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Cited in
(17)- Quantum Mechanics/Classical Mechanics Modeling of Biological Systems
- Performance evaluation of mixed-mode OpenMP/MPI implementations
- Quantum dynamics via adiabatic ab initio centroid molecular dynamics
- Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods
- NMR chemical shifts in periodic systems from first principles
- Numerical simulation of the resonant forbidden Bragg reflection in germanium
- A multiscale molecular switch model
- Simulating resistance switching in amorphous carbon
- Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method
- New advances in chemistry and materials science with CPMD and parallel computing
- SKaMPI
- Intel MPI Benchmarks
- Sequoia Benchmark
- Sphinx
- ACEMD
- Parallel discrete element simulation of poly-dispersed granular material
- Numerical methods for electronic structure calculations of materials
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