Pages that link to "Item:Q1575565"
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The following pages link to New advances in chemistry and materials science with CPMD and parallel computing (Q1575565):
Displaying 10 items.
- Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (Q347926) (← links)
- \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations (Q536939) (← links)
- Numerical simulation of the resonant forbidden Bragg reflection in germanium (Q549500) (← links)
- JuNoLo -- Jülich nonlocal code for parallel post-processing evaluation of vdW-DF correlation energy (Q615061) (← links)
- A divide-and-conquer implementation of the discrete variational DFT method for large molecular and solid systems (Q1286960) (← links)
- Parallel implementation of the projector augmented plane wave method for charged systems (Q1348021) (← links)
- A multiscale molecular switch model (Q1759087) (← links)
- Simulating resistance switching in amorphous carbon (Q1759144) (← links)
- Materials by design and the exciting role of quantum computation/simulation (Q1860460) (← links)
- Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers (Q6041593) (← links)
