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DTSTAMP:20260422T000627Z
LOCATION:301-302-303
DTSTART;TZID=America/Denver:20231116T153000
DTEND;TZID=America/Denver:20231116T170000
UID:submissions.supercomputing.org_SC23_sess162@linklings.com
SUMMARY:Molecular Dynamics Applications and Accelerators
DESCRIPTION:FASDA: An FPGA-Aided, Scalable, and Distributed Accelerator fo
 r Range-Limited Molecular Dynamics\n\nConducting long-timescale simulation
 s of small molecules using Molecular Dynamics (MD) is crucial in drug desi
 gn. However, traditional methods to accelerate the process, including ASIC
 s or GPUs, have limitations. ASIC solutions are not always generally avail
 able, while GPU solutions may not scale wh...\n\n\nChunshu Wu (Boston Univ
 ersity); Tong Geng (University of Rochester); Anqi Guo, Sahan Bandara, and
  Pouya Haghi (Boston University); Chuan Liu (University of Rochester); Ang
  Li (Pacific Northwest National Laboratory (PNNL)); and Martin Herbordt (B
 oston University)\n---------------------\nEnabling Real World Scale Struct
 ural Superlubricity All-Atom Simulation on the Next-Generation Sunway Supe
 rcomputer\n\nMolecular dynamics (MD) simulation can provide an affordable 
 way for inspecting microscopic phenomena, which is a powerful complement t
 o real-world experiments. But the spatial scale of MD simulations is usual
 ly magnitudes smaller than experiment systems. In this paper, we present o
 ur work, redesign...\n\n\nXiaohui Duan (Shandong University, China; Nation
 al Supercomputing Center in Wuxi); Jin Wang (International School for Adva
 nced Studies, Italy); Ping Gao (Tsinghua University, National Supercomputi
 ng Center in Wuxi); Ming Ma (Tsinghua University); Lin Gan (Tsinghua Unive
 rsity, National Supercomputing Center in Wuxi); Xin Liu (National Supercom
 puting Center in Wuxi); Haohuan Fu and Wei Xue (Tsinghua University, Natio
 nal Supercomputing Center in Wuxi); Dexun Chen (National Supercomputing Ce
 nter in Wuxi); Guangwen Yang (Tsinghua University, National Supercomputing
  Center in Wuxi); and Weiguo Liu (Shandong University, China; National Sup
 ercomputing Center in Wuxi)\n---------------------\nEnhance the Strong Sca
 ling of LAMMPS on Fugaku\n\nPhysical phenomenon such as protein folding re
 quires simulation up to microseconds of physical time, which directly corr
 esponds to the strong scaling of molecular dynamics(MD) on modern supercom
 puters. In this paper, we present a highly scalable implementation of the 
 state-of-the-art MD code LAMMPS ...\n\n\nJianxiong Li, Tong Zhao, Zhuoqian
 g Guo, and Shunchen Shi (State Key Lab of Processors, Institute of Computi
 ng Technology, Chinese Academy of Sciences; University of Chinese Academy 
 of Sciences); Lijun Liu (Department of Mechanical Engineering, Graduate Sc
 hool of Engineering, Osaka University.); and Guangming Tan, Weile Jia, Guo
 jun Yuan, and Zhan Wang (State Key Lab of Processors, Institute of Computi
 ng Technology, Chinese Academy of Sciences; University of Chinese Academy 
 of Sciences)\n\nTag: Accelerators, Applications, Architecture and Networks
 , Modeling and Simulation\n\nRegistration Category: Tech Program Reg Pass\
 n\nReproducibility Badges: Artifact Available\n\nSession Chair: Sudip Seal
  (Oak Ridge National Laboratory (ORNL))
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