Accelerating Molecular Dynamics with the Lennard-Jones potential for FPGAs
Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
The requirements for more advanced, longer, and more precise molecular dynamics simulations are greater than ever. Even though we are better at optimizing and have more computational power than previously, there is also a continuing need to make simulations even faster, more reliable, and cheaper to run. In this paper, we are presenting a method for running a molecular dynamics simulation on an FPGA device by using Synchronous Message Exchange. The molecular dynamics simulation presented in this paper is a basic simulation using the Lennard-Jones potential. It is a work in progress, but the results are promising compared to a Python implementation using matrix calculations. We present a proof of concept of an initial solution and its performance provides results that make us believe that a full molecular dynamics implementation would be feasible and competitive.
Original language | English |
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Title of host publication | Proceedings - 2021 Concurrent Processes Architectures and Embedded Systems Conference, COPA 2021 |
Number of pages | 8 |
Publisher | IEEE |
Publication date | 2021 |
ISBN (Electronic) | 9781728166834 |
DOIs | |
Publication status | Published - 2021 |
Event | 2021 Concurrent Processes Architectures and Embedded Systems Conference, COPA 2021 - Virtual, San Diego, United States Duration: 25 Apr 2021 → 28 Apr 2021 |
Conference
Conference | 2021 Concurrent Processes Architectures and Embedded Systems Conference, COPA 2021 |
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Land | United States |
By | Virtual, San Diego |
Periode | 25/04/2021 → 28/04/2021 |
Bibliographical note
Publisher Copyright:
© 2021 IEEE.
- FPGA, Lennard-Jones, Molecular Dynamics Simulation, Synchronous Message Exchange
Research areas
ID: 282095449