@misc{indiciae8401c8d0454a, title = {Energy-efficient, Large-scale Molecular Dynamics Simulations via Hardware- and Algorithm-level Optimization}, author = {Shen, Xinyi [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] and Jacob, Bruno [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] and Chaka, Anne M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000178727590) and Chen, Yunxiang [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000160658339) and Howard, Amanda A. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000264116198) and Nakouzi, Elias [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] and Ghosh, Sayan [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] and Kerisit, Sebastien N. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)]}, year = {2025}, doi = {10.2172/3010875}, url = {https://www.osti.gov/biblio/3010875}, note = {Source identifier: 3010875} }