Latest release - v3.17.1 released on 25 August 2023
Effective core potentials (pseudopotentials) in formats suitable for QMCPACK and many quantum chemical and electronic structure codes are available at https://pseudopotentiallibrary.org
To cite QMCPACK, please use J. Kim et al J. Phys.: Condens. Matter 30 195901 (2018). For a more recent review, see P. Kent et al. J.Chem. Phys. 152 174105 (2020). Both of these papers are open access.
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.