OCTANE: Breaking the Neighbor-List Bottleneck in GPU Molecular Dynamics
Published in Proceedings of the 40th ACM International Conference on Supercomputing, 2026
OCTANE received a Best Paper Nomination at ICS 2026.
Recommended citation: Hanieh Toutouni, Suman Chakraborty, Yicheng Tu, and Jiajun Huang. (2026). "OCTANE: Breaking the Neighbor-List Bottleneck in GPU Molecular Dynamics." Proceedings of the 40th ACM International Conference on Supercomputing. (Best Paper Nomination)