OCTANE: Breaking the Neighbor-List Bottleneck in GPU Molecular Dynamics
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)