Downloads

Latest release - v3.9.2 released on 29 April 2020

See the complete list of releases and current CHANGELOG for more details. The latest development source code is available on GitHub.

Documentation

Please see the online QMCPACK manual and online Nexus workflows user guide.

Pseudopotentials

Effective core potentials (pseudopotentials) in formats suitable for QMCPACK and many quantum chemical and electronic structure codes are available at https://pseudopotentiallibrary.org 

Citing QMCPACK

To cite QMCPACK, please use J. Kim et al J. Phys.: Condens. Matter 30 195901 (2018). The preprint is available at https://arxiv.org/abs/1802.06922.

Funding

Primary support for QMCPACK is via the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, as part of the Computational Materials Sciences Program and Center for Predictive Simulation of Functional Materials, and also the Exascale Computing Project (17-SC-20-SC), a collaborative effort of the U.S. Department of Energy Office of Science and the National Nuclear Security Administration.