CPMD
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Related Items (12)
Performance evaluation of mixed-mode OpenMP/MPI implementations ⋮ Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method ⋮ A multiscale molecular switch model ⋮ Simulating resistance switching in amorphous carbon ⋮ NMR chemical shifts in periodic systems from first principles ⋮ Numerical simulation of the resonant forbidden Bragg reflection in germanium ⋮ Numerical Methods for Electronic Structure Calculations of Materials ⋮ Quantum Mechanics/Classical Mechanics Modeling of Biological Systems ⋮ New advances in chemistry and materials science with CPMD and parallel computing ⋮ Parallel discrete element simulation of poly-dispersed granular material ⋮ Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods ⋮ Quantum dynamics via adiabatic ab initio centroid molecular dynamics
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