Rimu
Random Integrators for many-body quantum systems
The grand aim is to develop a toolbox for many-body quantum systems that can be represented by a Hamiltonian in second quantisation language. Currently there are tools to find the ground state with FCIQMC or with a Lanczos algorithm (using KrylovKit for small Hilbert spaces). Later, we may add tools to solve the time-dependent Schrödinger equation and Master equations for open system time evolution.
Concept: Joachim Brand and Elke Pahl.
Contributors: Joachim Brand, Elke Pahl, Mingrui Yang, Matija Cufar.
Discussions, help, and additional contributions are acknowledged by Ali Alavi, Didier Adrien, Chris Scott (NeSI), Alexander Pletzer (NeSI).
Install Rimu
Rimu can be installed with the package manager directly from the github
repository. Either hit the ] key at the Julia REPL to get into Pkg mode and
type
pkg> add https://github.com/joachimbrand/Rimu.jl#master
where master can be exchanged with the name of the desired git branch.
Alternatively, use
julia> using Pkg; Pkg.add(PackageSpec(url="https://github.com/joachimbrand/Rimu.jl", rev="master"))
Usage
The package is now installed and can be imported with
julia> using Rimu
Rimu offers a number of tools for representing Hamiltonians (see
Hamiltonians) and state vectors / wave functions (see DictVectors)
as well as algorithms to find the ground state, e.g. lomc!.
References:
The code implements the FCIQMC algorithm described in
- "Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space", G. H. Booth, A. J. W. Thom, A. Alavi, J. Chem. Phys. 131, 054106 (2009).
Scientific papers using the Rimu code:
- "Stochastic differential equation approach to understanding the population control bias in full configuration interaction quantum Monte Carlo", J. Brand, M. Yang, E. Pahl, arXiv:2103.07800 (2021).
- "Improved walker population control for full configuration interaction quantum Monte Carlo", M. Yang, E. Pahl, J. Brand, J. Chem. Phys. 153, 170143 (2020); DOI: 10.1063/5.0023088; arXiv:2008.01927.
References: The code implements the FCIQMC algorithm described in
- "Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space", G. H. Booth, A. J. W. Thom, A. Alavi, J. Chem. Phys. 131, 054106 (2009).
Scientific papers using the Rimu code:
- "Improved walker population control for full configuration interaction quantum Monte Carlo", M. Yang, E. Pahl, J. Brand, J. Chem. Phys. 153, 170143 (2020); DOI: 10.1063/5.0023088; arXiv:2008.01927.
For more information, consult the documentation.