• c-sat

  • Referenced in 8 articles [sw00168]
  • Dual-Core Opterons on each node (32 PEs), c-sat ran at least 23 times ... faster than MiniSat using 31 PEs (geometric mean; at least 31 times for satisfiable problems...
  • DP-GEN

  • Referenced in 2 articles [sw36442]
  • deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially ... generating uniformly accurate deep learning based PES models in a way that minimizes human intervention ... process for generating a general-purpose PES model for Cu using...
  • pFaces

  • Referenced in 3 articles [sw30630]
  • magnitudes as number of processing elements (PEs) increases, which easily outperforms all the existing tools...
  • pglib-uc

  • Referenced in 3 articles [sw33899]
  • curated and maintained by the IEEE PES Task Force on Benchmarks for Validation of Emerging...
  • POTLIB

  • Referenced in 1 article [sw08278]
  • library of global chemical potential energy surface (PES) functions (91 functions in version 1.0) along ... programs, and a convenient user interface. The PES programs are written in ANSI standard FORTRAN77...
  • FPQRNA

  • Referenced in 1 article [sw18995]
  • systolic-like array architecture with multiple PEs (Processing Elements). We partition the tasks by columns ... assign tasks to PEs for load balance. We exploit data reuse schemes to reduce...
  • PAROPT

  • Referenced in 1 article [sw11857]
  • initio calculations of potential energy surfaces (PES) and ab initio analytical forces. The ability...
  • PGLib-OPF

  • Referenced in 1 article [sw34018]
  • curated and maintained by the IEEE PES Task Force on Benchmarks for Validation of Emerging...
  • POTLIB2Math

  • Referenced in 0 articles [sw33050]
  • appropriate Born–Oppenheimer potential energy surface (PES) or surfaces. For many chemical systems, such surfaces...
  • LAMMPS

  • Referenced in 56 articles [sw05952]
  • LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is...
  • GAUSSIAN

  • Referenced in 181 articles [sw06118]
  • Gaussian is an electronic structure program, used by...
  • TensorFlow

  • Referenced in 327 articles [sw15170]
  • TensorFlow™ is an open source software library for...
  • CP2K

  • Referenced in 8 articles [sw15391]
  • CP2K is a quantum chemistry and solid state...
  • VASP

  • Referenced in 14 articles [sw19550]
  • The Vienna Ab initio Simulation Package (VASP) is...
  • Slurm

  • Referenced in 8 articles [sw25056]
  • Slurm is an open source, fault-tolerant, and...
  • AiiDA

  • Referenced in 4 articles [sw27272]
  • AiiDA is a flexible and scalable informatics’ infrastructure...
  • dpdata

  • Referenced in 1 article [sw36447]
  • dpdata is a python package for manipulating DeePMD...