Molecular dynamics simulations accelerated on FPGA with high-bandwidth memory

This work presents a full FPGA implementation of molecular dynamics (MD) simulations with high-bandwidth memory (HBM2), achieving accurate, energy-efficient performance and enabling scalable hardware acceleration for biomolecular systems.

Authors

You Xu (ORCID: https://orcid.org/0000-0002-6129-1492)
Ye Ding
Jing Xiao
Jinfeng Chen
Jing Huang

Institutions

Fudan University (CN)
Westlake University (CN)

Publication Details

Journal: Digital Discovery
Published: 2026-01-01
DOI: https://doi.org/10.1039/d5dd00391a
Primary Topic: Parallel Computing and Optimization Techniques
Type: article
Field-Weighted Citation Impact: 0.00

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article

Molecular dynamics simulations accelerated on FPGA with high-bandwidth memory

You Xu, Ye Ding, Jing Xiao, Jinfeng Chen et al.

Jan 1, 2026

Digital Discovery

Parallel Computing and Optimization Techniques

article

Molecular dynamics simulations accelerated on FPGA with high-bandwidth memory

You Xu, Ye Ding, Jing Xiao, Jinfeng Chen, Jing Huang

January 1, 2026article en

Abstract

Digital DiscoveryVol. 5(2)

Fudan University (CN), Westlake University (CN)

Openalex Percentile: Top 97%

Parallel Computing and Optimization Techniques

DOI Open Access PDF OpenAlex

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Molecular dynamics simulations accelerated on FPGA with high-bandwidth memory — You Xu, Ye Ding, et al. · Digital Discovery (2026) | TGRS Research Map | TGRS