TY  - RPRT
TI  - Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization
AU  - Shen, Xinyi [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]
AU  - Jacob, Bruno [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]
AU  - Chaka, Anne M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000178727590)
AU  - Chen, Yunxiang [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000160658339)
AU  - Howard, Amanda A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000264116198)
AU  - Nakouzi, Elias [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]
AU  - Ghosh, Sayan [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]
AU  - Kerisit, Sebastien N. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]
PY  - 2025
DO  - 10.2172/3010875
UR  - https://www.osti.gov/biblio/3010875
ID  - 3010875
ER  -