QMCPACK – A modern high-performance open-source Quantum Monte Carlo (QMC) simulation code. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC), orbital space auxiliary field QMC (AFQMC) <span>and</span> a number of other advanced QMC algorithms are implemented. | MateriApps – A Portal Site of Materials Science Simulation

The original programs are distributed under UIUC/NCSA Open Source License.

Availability	C/C++ compiler cmake, build utility, http://www.cmake.org/ BLAS/LAPACK, numerical library, use platform-optimized libraries libxml2, XML parser, http://xmlsoft.org/ HDF5, portable I/O library, http://www.hdfgroup.org/HDF5/ Boost, portable C++ source libraries, http://www.boost.org (Optional) FFTW, FFT library, http://www.fftw.org/ (Optional) doxygen, documentation generator, http://www.doxygen.org
Core Developers	Highly active current developers include: Anouar Benali (ANL) Mark Dewing (ANL) Peter Doak (ORNL) Paul Kent (ORNL): Director of CPSFM and Principal Investigator of Exascale Applications Development project. Jaron Krogel (ORNL) Graham Lopez (ORNL) Ye Luo (ANL) Miguel Morales (LLNL) Eric Neuscamman (UC Berkeley) Luke Shulenburger (SNL)
Methodology	Variational Monte Carlo (VMC) Diffusion Monte Carlo (DMC) Orbital space auxiliary field QMC (AFQMC) All electron and non-local pseudopotential calculations
Parallelization	MPI parallelism Fully threaded using OpenMP GPU (CUDA) implementation (limited functionality)
Related App	GAMESS-UK GAMESS-US QUANTUM ESPRESSO
Related keywords	Markov-chain Monte Carlo mothod (MCMC)
Other	Interface and conversion utilities for plane-wave wavefunctions from Quantum Espresso (PWSCF) Interface and conversion utilities for Gaussian-basis wavefunctions from GAMESS