papers
Publications (3)
cs.DC2019
Fully Integrated On-FPGA Molecular Dynamics Simulations
Chen Yang, Tong Geng, Tianqi Wang +8
The implementation of Molecular Dynamics (MD) on FPGAs has received substantial attention. Previous work, however, has consisted of either proof-of-concept implementations of compo…
cs.AR2021
Particle Mesh Ewald for Molecular Dynamics in OpenCL on an FPGA Cluster
Lawrence C. Stewart, Carlo Pascoe, Brian W. Sherman +2
Molecular Dynamics (MD) simulations play a central role in physics-driven drug discovery. MD applications often use the Particle Mesh Ewald (PME) algorithm to accelerate electrosta…
physics.bio-ph2017
OpenRBC: A Fast Simulator of Red Blood Cells at Protein Resolution
Yu-Hang Tang, Lu Lu, He Li +4
We present OpenRBC, a coarse-grained molecular dynamics code, which is capable of performing an unprecedented in silico experiment --- simulating an entire mammal red blood cell li…