FASDA: An FPGA-aided, scalable and distributed accelerator for range-limited molecular dynamics

C Wu, T Geng, A Guo, S Bandara, P Haghi… - Proceedings of the …, 2023 - dl.acm.org
Conducting long-timescale simulations of small molecules using Molecular Dynamics (MD)
is crucial in drug design. However, traditional methods to accelerate the process, including …

Novo-G#: Large-scale reconfigurable computing with direct and programmable interconnects

AD George, MC Herbordt, H Lam… - 2016 IEEE High …, 2016 - ieeexplore.ieee.org
While High-Performance Computing is ever more pervasive and effective, computing
capability is currently only a small fraction of what is needed. Three fundamental issues …

Fully integrated FPGA molecular dynamics simulations

C Yang, T Geng, T Wang, R Patel, Q **s for symmetric range-limited molecular force calculations on FPGAs
C Wu, S Bandara, T Geng, A Guo… - … Conference on Field …, 2022 - ieeexplore.ieee.org
In N-body applications, the efficient evaluation of range-limited forces depends on applying
certain constraints, including a cut-off radius and force symmetry (Newton's Third Law) …