My research interests include high-performance computing in molecular dynamics and bioinformatics, performance optimization.
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Shandong University
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LAMMPS-LMFF
LAMMPS-LMFF PublicLAMMPS is one of the most popular Molecular Dynamic (MD) packages and is widely used in the field of physics, chemistry and materials simulation. Layered Materials Force Field (LMFF) is our expansi…
C++ 7
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lammps
lammps PublicForked from lammps/lammps
Public development project of the LAMMPS MD software package
C++
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lammps-swsnap-cpc
lammps-swsnap-cpc PublicThe optimized SNAP implementation achieves up to 36 times speedup and 99%-100% parallel efficiency on million‑atom systems. The optimized FitSNAP training model outperforms baseline models (MLP, SE…
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