
LONE
 Referenced in 6 articles
[sw18211]
 quantum systems. In many applications with quantum spin systems, control functions with a sparse ... These controls can be obtained by solving quantum optimal control problems with L1penalized cost ... control problems governed by unitaryoperator quantum spin models. This package implements a new strategy...

Spinsim
 Referenced in 1 article
[sw41824]
 quantum systems. The Spinsim python package simulates spinhalf and spinone quantum mechanical systems ... Virtual Machine) compiler for Nvidia Cuda compatible systems using GPU parallelization. Along with other optimizations ... range of spinhalf or spinone quantum systems with time dependent Hamiltonians that cannot ... experiments and quantum sensing, and with the spinone systems of nitrogen vacancy centres (NVCs...

SPINPACK
 Referenced in 1 article
[sw11896]
 expectation values (spin correlations etc) for quantum spin systems. These model systems can for example ... magnetic moments of the particles form entangled quantum states. The first SPINPACK version was based ... handle Heisenberg, tJ, and HubbardSystems up to 64 sites if you have enough ... running on all unix systems. C++ is only needed for complex eigenvectors and twisted boundary...

GAMESS
 Referenced in 41 articles
[sw03002]
 program for ab initio molecular quantum chemistry. Briefly, GAMESS can compute SCF wavefunctions ranging from ... order two component scalar corrections, with various spinorbit coupling options. The Fragment Molecular Orbital ... treatments to be used on very large systems, by dividing the computation into small fragments...

QuSpin
 Referenced in 3 articles
[sw23897]
 Diagonalisation of Quantum Many Body Systems. Part II: bosons, fermions and higher spins. We present ... diagonalization and quantum dynamics of arbitrary boson, fermion and spin manybody systems, supporting...

SpinDrops
 Referenced in 1 article
[sw30896]
 quantum spin simulator that uses the DROPS Representation to provide a rich visualization of spin ... system dynamics. The DROPS Representation is a general approach for the visualization of arbitrary spin ... combination with a quantummechanical simulator to graphically fully illustrate spin system time evolution...

SKRYN
 Referenced in 3 articles
[sw16771]
 modeling and control of Ising spin systems is of fundamental importance in NMR spectroscopy applications ... solve quantum optimal control problems governed by the Liouville master equation modeling Ising spin ... systems with pointwise control constraints. In particular, the MATLAB package ReHaG allows to compute ... accurate solutions to the Ising spin quantum optimization problem...

ReHaG
 Referenced in 3 articles
[sw16772]
 modeling and control of Ising spin systems is of fundamental importance in NMR spectroscopy applications ... solve quantum optimal control problems governed by the Liouville master equation modeling Ising spin ... systems with pointwise control constraints. In particular, the MATLAB package ReHaG allows to compute ... accurate solutions to the Ising spin quantum optimization problem...

PARSEC
 Referenced in 20 articles
[sw22333]
 varieties). It is designed for ab initio quantummechanical calculations of the electronic structure ... molecular dynamics. Polarizability calculations (confinedsystem boundary conditions only). Spinorbit coupling. Noncollinear magnetism...

CollectiveSpins.jl
 Referenced in 1 article
[sw23909]
 Julia used to simulate quantum systems consisting of spatially distributed spins coupled via dipoledipole...

SMEAGOL
 Referenced in 6 articles
[sw33755]
 Spin and molecular electronics in atomically generated orbital landscapes. Ab initio computational methods for electronic ... nanoscaled systems are an invaluable tool for the design of quantum devices. We have developed ... particular it allows us to tackle material systems with complicated electronic structures, such as magnetic ... relevant for the two burgeoning fields of spin and molecular electronics...

CheMPS2
 Referenced in 4 articles
[sw17633]
 source spinadapted implementation of the density matrix renormalization group for ab initio quantum chemistry ... find exact eigenstates of finitesize quantum systems with strong correlation. In the fields ... electronic structure, it has significantly extended the system sizes that can be handled compared ... configuration interaction, without losing numerical accuracy. For quantum chemistry (QC), the most efficient implementations...

DiracQ
 Referenced in 3 articles
[sw08513]
 with typical algebraic manipulations that arise in quantum Condensed Matter Physics and Nuclear Physics problems ... evaluating the commutators of arbitrary combinations of spin, Bose and Fermi operators defined ... continuum. Some examples from popular systems, such as the Hubbard model, are provided to illustrate...

PULSEE
 Referenced in 1 article
[sw41840]
 based on a quantum mechanical description of nuclear spin dynamics in NMR/NQR experiments ... numerical simulation of generic spin systems. In order to make the program easily accessible ... potential of NMR/NQR for the scopes of quantum control and quantum information processing...

MCdevelop
 Referenced in 5 articles
[sw09208]
 software needed for advanced precision quantum field theory calculations for the past LEP experiments ... experiments at CERN, Geneva. MCdevelop is a “spinoff” product of HEP to be exploited ... computer cluster with NQStype batch system...

NQCDynamics.jl
 Referenced in 1 article
[sw41385]
 nuclear effects in highdimensional and dissipative systems are crucial for the prediction of chemical ... emerging methods for performing semiclassical and mixed quantumclassical dynamics in condensed phase. The code ... sharing in the field of condensed phase quantum dynamics. Herein, we present our code design ... spinboson model as described by a wide variety of semiclassical and mixed quantum...

CPMCLab
 Referenced in 1 article
[sw19934]
 field quantum Monte Carlo (AFQMC) calculations in many other models for correlated electron systems ... kinetic energy, potential energy, and charge and spingaps...

mcci
 Referenced in 1 article
[sw12215]
 suitable for generating highly accurate solutions to quantummany body problems; there is no inherent ... energy has been obtained for small molecular systems. In principle, there is no limit ... hence is equally valid for any spin independent Hamiltonian composed of one and twobody ... electronic states for simplified models of quantum dots are also being studied with...

RRRMC.jl
 Referenced in 2 articles
[sw38129]
 Rate (RRR) Monte Carlo method for Ising spin models described in the paper ”A method ... method for Monte Carlo sampling on systems with discrete variables (focusing in the Ising case ... when performing Monte Carlo simulations of quantum spin models in presence of a transverse field...

Fanpy
 Referenced in 1 article
[sw37046]
 Prototyping Multideterminant Methods in Ab Initio Quantum Chemistry. Fanpy is a free and opensource ... their overlaps with Slater determinants of orthonormal spinorbitals. In the simplest case ... implementation and theory: the wavefunction model, the system’s Hamiltonian, and the choice of objective...