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Green-Phys

Embedding Framework for Quantum Many-Body Simulations

Elements: Embedding Framework for Quantum Many-Body Simulations

The description of quantum systems, such as molecules and solids, within a quantum field theory framework employs the language of so-called Green's functions. These objects encapsulate information on electron correlation, temperature, excitations, and other observable properties of quantum systems. The GREEN software project, funded as part of the National Science Foundation program on cyberinfrastructure for sustained scientific software, provides open source software for the simulation of molecular and solid quantum systems within the language of Green's functions. This includes facilities to store and manipulate Green's function objects, to solve quantum systems of various types, and to analyze their physical content. This open source software thereby promotes the progress of science by facilitating the description, understanding, and discovery of quantum materials.

GREEN aims to establish a comprehensive package that capitalizes on existing Green's function codes for molecules and periodic systems. This initiative will foster a versatile and dependable set of tools, catering to researchers engaged in computational Green's function formalism for both realistic and model systems. Comprising multiple modules, GREEN can be employed either individually or in combination with other packages, enabling the development of new codes and conducting post-density functional theory calculations. These tools will effectively address weakly and strongly correlated problems, accommodating a broad spectrum of scientific investigations in quantum chemistry, condensed matter, and materials science. Moreover, GREEN's flexibility allows for the exploration and advancement of novel scientific and algorithmic concepts, empowering researchers to undertake cutting-edge applications. Some of the computational challenges GREEN is desigend to address include exploring strongly correlated oxide perovskites, studying the magnetic phases of solids and the properties of molecular magnets, as well as simulating problems in quantum dynamics for small molecules.

Licensing

All codes under Green framework will be released under MIT open-source license

Popular repositories Loading

  1. PronyAC PronyAC Public

    Python 8 1

  2. green-mbtools green-mbtools Public

    Python module for post processing data from many-body perturbation theory.

    Python 4

  3. green-mbpt green-mbpt Public

    Many-Body Perturbation solvers for Green project

    C++ 4 2

  4. green-grids green-grids Public

    Non-equidistant grids for imaginary time solvers

    Python 1

  5. green-ac green-ac Public

    Analytical continuation tools for Green project

    C++ 1

  6. green-gpu green-gpu Public

    GPU implementation for HF/GW kernel

    C++ 1 1

Repositories

Showing 10 of 15 repositories
  • green-mbpt Public

    Many-Body Perturbation solvers for Green project

    Green-Phys/green-mbpt’s past year of commit activity
    C++ 4 MIT 2 1 (1 issue needs help) 0 Updated Jul 25, 2024
  • green-mbtools Public

    Python module for post processing data from many-body perturbation theory.

    Green-Phys/green-mbtools’s past year of commit activity
    Python 4 MIT 0 0 0 Updated Jul 9, 2024
  • green-phys.github.io Public

    Web pages for green

    Green-Phys/green-phys.github.io’s past year of commit activity
    CSS 0 3 0 1 Updated Jul 5, 2024
  • green-ac Public

    Analytical continuation tools for Green project

    Green-Phys/green-ac’s past year of commit activity
    C++ 1 MIT 0 0 0 Updated Jul 5, 2024
  • green-sc Public
    Green-Phys/green-sc’s past year of commit activity
    C++ 0 MIT 0 0 0 Updated Jul 2, 2024
  • green-gpu Public

    GPU implementation for HF/GW kernel

    Green-Phys/green-gpu’s past year of commit activity
    C++ 1 MIT 1 0 0 Updated Jun 26, 2024
  • green-opt Public

    Self-consistent iteration convergence optimizers

    Green-Phys/green-opt’s past year of commit activity
    C++ 0 MIT 0 1 (1 issue needs help) 0 Updated Jun 26, 2024
  • green-symmetry Public

    Provide a set of routines to perform symmetry related operation in reciprocal space

    Green-Phys/green-symmetry’s past year of commit activity
    C++ 0 MIT 0 0 0 Updated Jun 26, 2024
  • green-grids Public

    Non-equidistant grids for imaginary time solvers

    Green-Phys/green-grids’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Jun 26, 2024
  • green-params Public

    Library to handle command-line parameters

    Green-Phys/green-params’s past year of commit activity
    C++ 0 MIT 0 0 0 Updated Jun 26, 2024

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