Recent News

The QMCPACK Workshop is being postponed to later this year or early 2021 due to the COVID-19/coronavirus outbreak. https://events.cels.anl.gov/event/7/ 

 

The following is posted at the registration site:

 

Download QMCPACK v3.9.1

Notes

This release is the same as v3.9.0 except that the version number of QMCPACK is reported correctly. See the v3.9.0 part of the CHANGELOG for important changes compared to v3.8.0.

 

Download QMCPACK v3.9.0

Notes

This release includes a large number of refinements to improve or extend the functionality of QMCPACK and NEXUS. Importantly, this release supports and requires Python 3. After this release we plan to remove the array-of-structures build configuration and also the legacy CUDA implementation for GPUs.

Download QMCPACK v3.8.0

Notes

This release includes Quantum Espresso v6.4.1 support, new examples for adding wavefunctions and Jastrow functions, and many updates to the AFQMC code functionality.

Download QMCPACK v3.7.0

Notes

This release includes GPU support for the AFQMC implementation, Quantum Espresso v6.4 support, and in the real-space code makes the structure-of-arrays (SoA) code path the default. A large number of feature refinements, bugfixes, testing improvements and source code cleanup have been performed.

Tutorials and presentations from this workshop are now available on GitHub.

 

Videos for many of the presentation are uploaded on YouTube.

 

Artist's rendition of red emission from an Mn4+ impurity via recombination

Quantum Monte Carlo is applied to phosphors for the first time.