QMCPACK

QMCPACK/qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

11 good first / help-wanted issues · C++ · last activity Jul 6, 2026

c-plus-plus cuda electronic-structure gpu high-performance-computing hpc mpi oneapi quantum-chemistry quantum-monte-carlo rocm
11 Open Issues Need Help Last updated: Jul 6, 2026

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Nexus Wishlist 10 days ago
bug enhancement help wanted nexus to do documentation
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
cleanup good first issue stale
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
enhancement testing documentation good first issue stale
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
enhancement documentation good first issue
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
output_cleanup good first issue stale
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
nexus testing good first issue python
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
documentation good first issue
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm
nexus good first issue
QMCPACK/qmcpack
394

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++
#c-plus-plus#cuda#electronic-structure#gpu#high-performance-computing#hpc#mpi#oneapi#quantum-chemistry#quantum-monte-carlo#rocm