Siesta

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An open-source application for first-principles calculation utilizing pseudo-potentials and atom-localized basis sets. This application is capable of performing electronic structure calculations, structural relaxation, and molecular dynamics in a wide range of systems based on density functional theory. By adopting atom-localized basis sets, it realizes high-speed electronic calculation and linear-scaling in suitable computer systems. It can also perform electronic conductance calculations based on non-equilibrium Green’s function method.

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Strawberry Fields

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

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.

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SHRY

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

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.

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snake-dmrg

  • Level of openness 3 ★★★
  • Document quality 1 ★☆☆

An open-source application for simulation of low-dimensional interacting electron models based on density-matrix renormalization group (DMRG). For effective models of one-dimensional quantum systems and impurity systems, this application can treat not only physical quantities of ground states but also time evolution and finite-temperature physical quantities. The program is coded in C++, and can be called from MATLAB scripts.

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SpM

  • Level of openness 3 ★★★
  • Document quality 1 ★☆☆

A sparse-modeling tool for computing the spectral function from the imaginary-time Green function. It removes statistical errors in quantum Monte Carlo data, and performs a stable analytical continuation. The obtained spectral function fulfills the non-negativity and the sum rule. The computation is fast and free from tuning parameters.

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SMASH

  • Level of openness 3 ★★★
  • Document quality 1 ★☆☆

Open source software for massively parallel quantum chemistry calculations. Energies and geometries of nano-sized molecules can be calculated without fragmentation. The program supports Hartree-Fock, density functional theory, and second-order Møller-Plesset perturbation theory calculations. The input format, execution method, and program structure are simple, and frequently used routines can be easily extracted.

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