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Publications & Reports
December 30, 2025
Report
Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization
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Published: December 30, 2025
Citation
Shen X., B. Jacob, A.M. Chaka, Y. Chen, A.A. Howard, E. Nakouzi, and S. Ghosh, et al. 2025.
Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization
Richland, WA: Pacific Northwest National Laboratory.
Research topics
High-Performance Computing
Computational Chemistry