• 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 L1-penalized cost ... control problems governed by unitary-operator quantum spin models. This package implements a new strategy...
  • Spinsim

  • Referenced in 1 article [sw41824]
  • quantum systems. The Spinsim python package simulates spin-half and spin-one quantum mechanical systems ... Virtual Machine) compiler for Nvidia Cuda compatible systems using GPU parallelization. Along with other optimizations ... range of spin-half or spin-one quantum systems with time dependent Hamiltonians that cannot ... experiments and quantum sensing, and with the spin-one 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, t-J, and Hubbard-Systems 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 spin-orbit 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 many-body 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 quantum-mechanical 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 quantum-mechanical calculations of the electronic structure ... molecular dynamics. Polarizability calculations (confined-system boundary conditions only). Spin-orbit coupling. Non-collinear magnetism...
  • CollectiveSpins.jl

  • Referenced in 1 article [sw23909]
  • Julia used to simulate quantum systems consisting of spatially distributed spins coupled via dipole-dipole...
  • 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 spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry ... find exact eigenstates of finite-size 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 “spin-off” product of HEP to be exploited ... computer cluster with NQS-type batch system...
  • NQCDynamics.jl

  • Referenced in 1 article [sw41385]
  • nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical ... emerging methods for performing semiclassical and mixed quantum-classical dynamics in condensed phase. The code ... sharing in the field of condensed phase quantum dynamics. Herein, we present our code design ... spin-boson model as described by a wide variety of semi-classical and mixed quantum...
  • CPMC-Lab

  • 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 spin-gaps...
  • mcci

  • Referenced in 1 article [sw12215]
  • suitable for generating highly accurate solutions to quantum-many 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 two-body ... 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 open-source ... their overlaps with Slater determinants of orthonormal spin-orbitals. In the simplest case ... implementation and theory: the wavefunction model, the system’s Hamiltonian, and the choice of objective...