The landscape of exascale research: A data-driven literature analysis
S Heldens, P Hijma, BV Werkhoven… - ACM Computing …, 2020 - dl.acm.org
The next generation of supercomputers will break the exascale barrier. Soon we will have
systems capable of at least one quintillion (billion billion) floating-point operations per …
systems capable of at least one quintillion (billion billion) floating-point operations per …
GENESIS 1.1: A hybrid‐parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms
GENeralized‐Ensemble SImulation System (GENESIS) is a software package for molecular
dynamics (MD) simulation of biological systems. It is designed to extend limitations in system …
dynamics (MD) simulation of biological systems. It is designed to extend limitations in system …
The tofu interconnect d
Y Ajima, T Kawashima, T Okamoto… - 2018 IEEE …, 2018 - ieeexplore.ieee.org
In this paper, we introduce a new and highly scalable interconnect called Tofu interconnect
D that will be used in the post-K machine. This machine will officially be operational around …
D that will be used in the post-K machine. This machine will officially be operational around …
Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for …
The calculation of a protein-ligand binding free energy based on molecular dynamics (MD)
simulations generally relies on a thermodynamic cycle in which the ligand is alchemically …
simulations generally relies on a thermodynamic cycle in which the ligand is alchemically …
Data distribution packet-flow interconnect fabric modular management optimized system
W Dress - US Patent 9,674,116, 2017 - Google Patents
(57) ABSTRACT A method includes operating a packet flow module including a plurality of
ports, each of the plurality of ports including at least a pair of bidirectional and logically …
ports, each of the plurality of ports including at least a pair of bidirectional and logically …
Outcomes and challenges of global high-resolution non-hydrostatic atmospheric simulations using the K computer
This article reviews the major outcomes of a 5-year (2011–2016) project using the K
computer to perform global numerical atmospheric simulations based on the non-hydrostatic …
computer to perform global numerical atmospheric simulations based on the non-hydrostatic …
A case for random shortcut topologies for HPC interconnects
As the scales of parallel applications and platforms increase the negative impact of
communication latencies on performance becomes large. Fortunately, modern High …
communication latencies on performance becomes large. Fortunately, modern High …
Spiking network simulation code for petascale computers
S Kunkel, M Schmidt, JM Eppler, HE Plesser… - Frontiers in …, 2014 - frontiersin.org
Brain-scale networks exhibit a breathtaking heterogeneity in the dynamical properties and
parameters of their constituents. At cellular resolution, the entities of theory are neurons and …
parameters of their constituents. At cellular resolution, the entities of theory are neurons and …
Optimal circulant graphs as low-latency network topologies
Communication latency has become one of the determining factors for the performance of
parallel clusters. To design low-latency network topologies for high-performance computing …
parallel clusters. To design low-latency network topologies for high-performance computing …
MODYLAS: A highly parallelized general-purpose molecular dynamics simulation program for large-scale systems with long-range forces calculated by fast multipole …
Our new molecular dynamics (MD) simulation program, MODYLAS, is a general-purpose
program appropriate for very large physical, chemical, and biological systems. It is equipped …
program appropriate for very large physical, chemical, and biological systems. It is equipped …