Recent News

Download QMCPACK v4.1.0

Notes

This release is recommended for all users and includes improved support for calculating forces, better GPU support, updated build recipes and documentation for many machines, and a broad range of other useful improvements.

Details and registration at https://www.qmcpack.org/qmc2025

 

 

For further details on learning QMC and QMCPACK in general:

Notes

This major release includes an important change in the default driver behavior, significantly expanded GPU support including fully GPU accelerated LCAO/Gaussian-basis set wavefunction support for both molecular and solid-state systems, improved GPU configuration options, a new fast spin-orbit implementation based on exact spin integration, a stochastic reconfiguration-based wavefunction optimizer for large parameter sets, self-he

Benzene wavefunctions

Accurate positron affinities from quantum Monte Carlo.

Visualization of electron spin density of TbMn6Sn6

QMC applied to the f-element bearing TbMn6Sn6

Binding energy discrepancies for TeH and TeO

New highly-accurate potentials for QMC and other many-body methods including spin-orbit.

 

Notes

This minor release is recommended for all users and includes a couple of build fixes and a NEXUS improvement.