Computational granularity and parallel models to scale up reactive scattering calculations

DOI10.1016/S0010-4655(99)00516-0zbMath1002.81570OpenAlexW1992595406WikidataQ127363173 ScholiaQ127363173MaRDI QIDQ1578170

Ranieri Baraglia, Alessandro Bolloni, Stefano Crocchianti, Domenico Laforenza, Antonio Laganà, Valentina Piermarini, Renato Ferrini

Publication date: 19 January 2003

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(99)00516-0

Mathematics Subject Classification ID

Strong interaction, including quantum chromodynamics (81V05) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items

Time-dependent wave packet calculations on parallel computers: A new and efficient algorithm for evaluating \(\overline{H}\psi\) ⋮ An OpenMP/MPI approach to the parallelization of iterative four-atom quantum mechanics

Uses Software

• PVM
• MPI