DAMASK is a unified multi-physics crystal plasticity simulation package. The solution of continuum mechanical boundary value problems requires a constitutive response that connects deformation and stress at each material point. This problem is solved in DAMASK on the basis of crystal plasticity using a variety of constitutive models and homogenization approaches. However, treating mechanics in isolation is no longer sufficient to study emergent advanced high-strength materials. In these materials, deformation happens interrelated with displacive phase transformation, significant heating, and potential damage evolution. Therefore, DAMASK is capable of handling multi-physics problems. Following a modular approach, additional field equations are solved in a fully coupled way using a staggered approach.
An exact diagonalization package for efficiently solving quantum spin 1/2 lattice models in almost fully spin-polarized sectors. QS3 can treat such systems with quite large system sizes, over 1000 sites. It supports calculations of wavenumber-dependence of energy-dispersion and dynamical spin structure factor.
A python package for the tight-binding method. PythTB supports tight-binding calculations of electronic structures and Berry phase in various kinds of systems. Users can use ab initio parameters obtained by Wannier90.
An open source C++ library designed for the development of tensor network algorithms. The goal of this library is to provide basic tensor operations with an easy-to-use interface, and it also provides a Network class that handles the graphical representation of networks. A wrapper for calling it from Python is also provided.
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 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.
Python library for the design, simulation, and optimization of continuous-variable quantum optical circuits. It has high-level functions for solving problems including graph and network optimization, machine learning, and chemistry, and can perform training and optimization of quantum programs using the TensorFlow backend.
Ising model and QUBO heuristic optimization library. The core of the optimization is implemented in C++; it has a Python interface, therefore it can be easily written in Python.
A python tool for generating symmetry-inequivalent supercell structures from a CIF file containing site occupancy information. SHRY can be used as a command-line tool as well as a module in a python script.
First-principles software based on plane-wave basis and norm-conserving pseudopotential methods. Time-dependent DFT has been implemented. Users can perform real-time simulations for electron-ion dynamics under a time-dependent external field. Pseudopotentials with FPSEID21 format should be used, and those are downloadable from the website.