Kω implements large-scale parallel computing of the shifted Krylov subspace method. Using Kω, dynamical correlation functions can be efficiently calculated. This application includes a mini-application for calculating dynamical correlation functions of quantum lattice models such as the Hubbard model, the Kondo model, and the Heisenberg model in combination with the quantum lattice solver of quantum many-body problems, HΦ.
A Python library for simulating strongly correlated quantum systems using tensor networks. The goal is to make the algorithms readable and easy to use for beginners, and also powerful and fast for experts. Simple sample code and toy code to illustrate TEBD and DMRG are also provided.
An application for numerical renormalization group calculations. This application can solve magnetic impurity problems described by the Kondo model and the Anderson model. Input files are prepared for typical impulity models. By modifying input files, one can study more general models of the magnetic impurity problems. A mathematica program for generation of input files are also included.
QuCumber is an open-source Python package that implements neural-network quantum state reconstruction of many-body wavefunctions from measurement data such as magnetic spin projections, orbital occupation number. Given a training dataset of measurements, QuCumber discovers the most likely quantum state compatible with the measurements by finding the optimal set of parameters of a restricted Boltzmann machine (RBM).
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Software framework for training a machine learning model to reproduce first-principles energies and then using the model to perform configurational sampling in disordered systems. It has been developed with an emphasis on multi-component solid-state systems such as metal and oxide alloys. At present, Quantum Espresso, VASP and OpenMX can be used as first-principles energy calculators, and aenet can be used to construct neural network potentials.
An open-source program package for numerical diagonalization based on the Lanczos method, specialized for spin chains with unit spin magnitude, S=1. This package, which uses another open-source program package, TITPACK, calculates eigenenergies and eigenvectors of ground states and low-lying excited states of spin chains with finite length. By the subspace partitioning method, both memory and cpu-time requirements are considerably reduced.
An open source library for implementing tensor networks. It is developed based on TensorFlow and is designed to be easily used by experts in the field of machine learning as well as in the field of physics. In addition to TensorFlow, it includes wrappers for JAX, PyTorch, and Numpy.
A collection of shell scripts for installing open-source applications and tools for computational materials science to macOS, Linux PC, cluster workstations, and major supercomputer systems in Japan. Major applications are preinstalled to the nation-wide joint-use supercomputer system at Institute for Solid State Physics, University of Tokyo by using MateriApps Installer.
w2dynamics is a hybridization-expansion continuous-time (CT-HYB) quantum Monte Carlo package, developed jointly in Wien and Würzburg. Users can calculate local two- and four-pointfermionic Green’s functions of multi-orbital impurity models. This application also provides DMFT Python code and an interface to wannier90 generated Hamiltonians.
An open-source program package for numerical diagonalization of quantum spin systems. The FORTRAN source programs are relatively simple and highly readable, and it can be applied to various quantum spin systems by modifying the main routine. Both the Lanczos and the inverse iteration methods are implemented for calculation of eigenvalues and eigenvectors, as well as correlation functions. Can be also used for diagonalization problems of general sparse matrices.