×

注意!页面内容来自https://github.com/materialsproject,本站不储存任何内容,为了更好的阅读体验进行在线解析,若有广告出现,请及时反馈。若您觉得侵犯了您的利益,请通知我们进行删除,然后访问 原网页

Skip to content
<> /* Override primer focus outline color for marketing header dropdown links for better contrast */ [data-color-mode="light"] .HeaderMenu-dropdown-link:focus-visible, [data-color-mode="light"] .HeaderMenu-trailing-link a:focus-visible { outline-color: var(--color-accent-fg); }
@materialsproject

Materials Project

The Materials Project is a multi-institutionmulti-national effort to compute the properties of all inorganic materials and provide the data and associated analysis algorithms for every materials researcher free of charge. The ultimate goal of the initiative is to drastically reduce the time needed to invent new materials by focusing costly and time-consuming experiments on compounds that show the most promise computationally.

Software

By computing properties of all known materialsthe Materials Project aims to remove guesswork from materials design in a variety of applications. Experimental research can be targeted to the most promising compounds from computational data sets. Researchers will be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design betterthe Materials Project aims to accelerate innovation in materials research.

Supercomputing

Supercomputing clusters at national laboratories provide the infrastructure that enables our computationsdataand algorithms to run at unparalleled speed. We principally use the Lawrence Berkeley National Laboratory's NERSC Scientific Computing Center and Computational Research Divisionbut we are also active with Oak Ridge's OLCF Argonne's ALCF and San Diego's SDSC

Screening

Computational materials science is now powerful enough that it can predict many properties of materials before those materials are ever synthesized in the lab. By scaling materials computations over supercomputing clusterswe have predicted several new battery materials which were made and tested in the lab. Recentlywe have also identified new transparent conducting oxides and thermoelectric materials using this approach.

Contributors

The Materials Project thank all users for support and feedback. We are thankful to all our contributors who contribute to our software ecosystem. A complete list of contributors is listed here.

Pinned Loading

  1. pymatgen pymatgen Public

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

    Python 1.9k 949

  2. fireworks fireworks Public

    The Fireworks Workflow Management Repo.

    Python 424 193

  3. custodian custodian Public

    A simplerobust and flexible just-in-time job management framework in Python.

    Python 181 118

  4. atomate2 atomate2 Public

    atomate2 is a library of computational materials science workflows

    Python 296 138

  5. api api Public

    New API client for the Materials Project

    Python 166 54

Repositories

Showing 10 of 56 repositories

Top languages

Loading…

Most used topics

Loading…