‘Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations’

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Items 101–114 of 114

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4. A brief introduction to contemporary electrokinetics
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5. Computational approaches to investigate fluoride binding, selectivity and transport across the membrane
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6. Scaling molecular dynamics for large-scale simulation of biological systems on AMD CPU/GPU supercomputers: Lessons from LUMI
   Diego Ugarte La Torre, Jaewoon Jung, Yuji Sugita · 2025 · International Conference on High Performance Computing in Asia-Pacific Region (HPC Asia)
7. The potential of AI techniques in biomolecular simulations
   Elena Frasnetti, Giorgio Colombo · 2025 · Elsevier eBooks
8. MDZip: Neural Compression of Molecular Dynamics Trajectories for Scalable Storage and Ensemble Reconstruction
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9. Multiscale simulations
   Alexander V. Neimark, Kolattukudy Poulose Santo · 2025 · Elsevier eBooks
10. Prefetch parallelization and optimization of Monte Carlo in the grand canonical, isothermal-isobaric, and Gibbs ensemble
    Harold W. Hatch · 2026 · The Journal of Chemical Physics
11. Machine learning electronic structure methods
    Tobias Henkes, Pavlo O. Dral, Carolin Müller · 2026 · Elsevier eBooks
12. Understanding and Guiding the Computing Resource Management in a Runtime Stacking Context.
    Arthur Loussert · 2019
13. Computing complexity
    2026 · Nature Chemical Biology
14. Meso-Soup: A community approach to building a computational description of the biological mesoscale
    Sarah Anne Harris, Gianluca Lattanzi, Angelo Rosa, Ralf Everaers, Garegin A. Papoian, Adria Vidal, Chelsea Brown, Tanniemola B. Liverpool, Aldo Pasos-Trejo, Mohsen Sadeghi et al. · 2026 · Biophysical Journal