skip to content

HANDE is an open-source software package for stochastic quantum chemistry under active development, run by a non-profit community of UK academics headed by Dr James Spencer (Imperial College London) and Dr Alex Thom (University of Cambridge).

HANDE contains highly scalable implementations of the full configuration interaction quantum Monte Carlo and coupled cluster Monte Carlo methods including the initiator approximation and semi-stochastic approach, as well as the density matrix quantum Monte Carlo method. HANDE can treat a variety of quantum systems, including the molecular systems (via integrals obtained from a quantum chemistry package) and the uniform electron gas as well as the Hubbard and Heisenberg models.

We have recently released HANDE 1.4 which can be obtained from

Related Publications 

The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.
JS Spencer, NS Blunt, S Choi, J Etrych, M-A Filip, WMC Foulkes, RST Franklin, WJ Handley, FD Malone, VA Neufeld, R Di Remigio, TW Rogers, CJC Scott, JJ Shepherd, WA Vigor, J Weston, R Xu, AJW Thom – Journal of chemical theory and computation (2019) 15, 1728
Large Scale Parallelization in Stochastic Coupled Cluster
JS Spencer, VA Neufeld, WA Vigor, RST Franklin, AJW Thom – The Journal of Chemical Physics (2018) 149, 204103
Open-Source Development Experiences in Scientific Software: The HANDE Quantum Monte Carlo Project
– Journal of Open Research Software (2015) 3,