An OpenMP/MPI approach to the parallelization of iterative four-atom quantum mechanics
DOI10.1016/J.CPC.2004.11.001zbMATH Open1196.68315OpenAlexW1983146559MaRDI QIDQ709689FDOQ709689
Authors: Dmitry M. Medvedev, Evelyn M. Goldfield, Stephen K. Gray 
Publication date: 18 October 2010
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2004.11.001
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Cites Work
- Computing eigenvalues of very large symmetric matrices. An implementation of a Lanczos algorithm with no reorthogonalization
- High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation
- Parallel strategies for four-atom quantum dynamics calculations
- Parallel implementation of a pseudo-spectral calculation of molecular energy levels: Application to the water dimer \((H_2O)_2\)
- Time-dependent wave packet calculations on parallel computers: A new and efficient algorithm for evaluating \(\overline{H}\psi\)
- Computational granularity and parallel models to scale up reactive scattering calculations
- Bound and quasi-bound rotation-vibrational states using massively parallel computers
Cited In (4)
- A parallelizable energy-preserving integrator MB4 and its application to quantum-mechanical wavepacket dynamics
- Title not available (Why is that?)
- Parallel methods for high-dimensional quantum dynamics
- DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions
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