Anton 2: raising the bar for performance and programmability in a special-purpose molecular dynamics supercomputer
DE Shaw, JP Grossman, JA Bank… - SC'14: Proceedings …, 2014 - ieeexplore.ieee.org
Anton 2 is a second-generation special-purpose supercomputer for molecular dynamics
simulations that achieves significant gains in performance, programmability, and capacity …
simulations that achieves significant gains in performance, programmability, and capacity …
Redesigning LAMMPS for peta-scale and hundred-billion-atom simulation on Sunway TaihuLight
X Duan, P Gao, T Zhang, M Zhang… - … conference for high …, 2018 - ieeexplore.ieee.org
Large-scale molecular dynamics (MD) simulations on supercomputers play an increasingly
important role in many research areas. In this paper, we present our efforts on redesigning …
important role in many research areas. In this paper, we present our efforts on redesigning …
ARUZ—Large-scale, massively parallel FPGA-based analyzer of real complex systems
R Kiełbik, K Hałagan, W Zatorski, J Jung… - Computer Physics …, 2018 - Elsevier
This paper presents general information about ARUZ, a scalable, fully parallel data
processing system equipped with low-latency communication channels, designed for …
processing system equipped with low-latency communication channels, designed for …
On the feasibility of fpga acceleration of molecular dynamics simulations
M Schaffner, L Benini - arXiv preprint arXiv:1808.04201, 2018 - arxiv.org
Classical molecular dynamics (MD) simulations are important tools in life and material
sciences since they allow studying chemical and biological processes in detail. However …
sciences since they allow studying chemical and biological processes in detail. However …
FPGA-accelerated tersoff multi-body potential for molecular dynamics simulations
Molecular Dynamics simulation (MD) models the interactions of thousands to millions of
particles through the iterative application of fundamental physics, and MD is one of the core …
particles through the iterative application of fundamental physics, and MD is one of the core …
Architecture of an FPGA accelerator for molecular dynamics simulation using OpenCL
HM Waidyasooriya, M Hariyama… - 2016 IEEE/ACIS 15th …, 2016 - ieeexplore.ieee.org
Molecular dynamics (MD) simulations are very important to study physical properties of the
atoms and molecules. However, a huge amount of processing time is required to simulate a …
atoms and molecules. However, a huge amount of processing time is required to simulate a …
An FPGA accelerator for molecular dynamics simulation using OpenCL
HM Waidyasooriya, M Hariyama… - International Journal of …, 2017 - Springer
Molecular dynamics (MD) simulations are very important to study physical properties of the
atoms and molecules. However, a huge amount of processing time is required to simulate a …
atoms and molecules. However, a huge amount of processing time is required to simulate a …
Molecular dynamics simulation of iron—a review
Molecular dynamics (MD) is a technique of atomistic simulation which has facilitated
scientific discovery of interactions among particles since its advent in the late 1950s. Its merit …
scientific discovery of interactions among particles since its advent in the late 1950s. Its merit …
Methodology of firmware development for ARUZ—An FPGA-based HPC system
R Kiełbik, K Rudnicki, Z Mudza, J Jung - Electronics, 2020 - mdpi.com
ARUZ is a large scale, massively parallel, FPGA-based reconfigurable computational
system dedicated primarily to molecular analysis. This paper presents a methodology for …
system dedicated primarily to molecular analysis. This paper presents a methodology for …
OpenCL-based implementation of an FPGA accelerator for molecular dynamics simulation
Molecular dynamics (MD) simulations are very important to study physical properties of the
atoms and molecules. However, a huge amount of processing time is required to simulate a …
atoms and molecules. However, a huge amount of processing time is required to simulate a …