OCTANE: Breaking the Neighbor-List Bottleneck in GPU Molecular Dynamics
Published in Proceedings of the 40th ACM International Conference on Supercomputing, 2026
OCTANE received the Best Paper Award at ICS 2026 (1 of 476 submissions). The conference acceptance rate was 21.4%.
Underlined names indicate students I have supervised or mentored on the corresponding research projects.
† denotes a top conference included in CSRankings or rated A* or A by CORE/ICORE (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 Award, 1 of 476 submissions) (Acceptance rate: 21.4%)