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Molecular Simulation Volume 47, 2021 - Issue 2-3: DL_POLY 25th Anniversary

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DL_POLY - A performance overview analysing, understanding and exploiting available HPC technology

Martyn F. Guesta Advanced Research Computing, Cardiff University, Cardiff, UKView further author information

Alin M. Elenab Scientific Computing Department, STFC Daresbury Laboratory, Daresbury, UK;d Intel Parallel Computing Centre@Daresbury Laboratory, Daresbury, UKCorrespondence[email protected]
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Aidan B. G. Chalkc Hartree Centre, STFC Daresbury Laboratory, Daresbury, UK;d Intel Parallel Computing Centre@Daresbury Laboratory, Daresbury, UKView further author information

Pages 194-227 | Received 02 Apr 2018, Accepted 01 Apr 2019, Published online: 25 Apr 2019

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https://doi.org/10.1080/08927022.2019.1603380
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Piotr Zarzycki. (2023) Distance-dependent dielectric constant at the calcite/electrolyte interface: Implication for surface complexation modeling. Journal of Colloid and Interface Science 645, pages 752-764.
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Alfonso Pedone, Marco Bertani, Luca Brugnoli & Annalisa Pallini. (2022) Interatomic potentials for oxide glasses: Past, present, and future. Journal of Non-Crystalline Solids: X 15, pages 100115.
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Pablo Ouro, Unai Lopez-Novoa & Martyn F. Guest. (2021) On the performance of a highly-scalable Computational Fluid Dynamics code on AMD, ARM and Intel processor-based HPC systems. Computer Physics Communications 269, pages 108105.
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Benjamin C. B. Symons, Michael K. Bane & Paul L. A. Popelier. (2021) DL_FFLUX: A Parallel, Quantum Chemical Topology Force Field. Journal of Chemical Theory and Computation 17:11, pages 7043-7055.
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William Smith, Martyn Guest, Ilian Todorov & Paul Durham. (2020) Molecular simulation and the collaborative computational projects. The European Physical Journal H 45:4-5, pages 259-343.
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