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  1. This tool takes as input a crystal structure given in a variety of formats (native PWscf, XYZ, XCrysDen, CIF, VASP, Castep, and PDB), and prepares an input file for the PWscf code of Quantum ESPRESSO, using reliable standard parameters that can be used to perform a self-consistent calculations for the chosen structure.

  2. www.materialscloud.org › learn › sectionsLearn - Materials Cloud

    9 lis 2022 · Materials Cloud is built to enable the seamless sharing and dissemination of resources in computational materials science, encompassing educational material, interactive tools, simulation services, and curated and raw data.

  3. www.materialscloud.org › work › toolsMaterials Cloud

    Computational tools offered as a service: no download, no installation, but click-and-run. Quantum ESPRESSO input generator and structure visualizer Authors: Kristjan Eimre, Jusong Yu, Gabriel M. Nascimento, Elsa Passaro, Sebastiaan P. Huber, Giovanni Pizzi, Nicola Marzari

  4. Explore electronic-structure methods for materials science in this comprehensive tutorial lecture. Delve into advanced topics within the Quantum ESPRESSO framework, focusing on Hubbard and Koopmans functionals from linear response.

  5. Explore a comprehensive tutorial on Quantum ESPRESSO and MaX, focusing on materials design at the exascale level. Delve into advanced concepts of Hubbard and Koopmans functionals from linear response, as presented by Andrea Ferretti.

  6. Easy-to-use Quantum ESPRESSO in the cloud. Design structures, run simulations, and analyze complex data on the cloud in private, team, or global environments.

  7. auxiliary software. Materials Cloud tools: Quantum ESPRESSOinput generator and visualizer. k-point path generator. phonon visualizer. Graphical user interfaces, visualization: Input data can be prepared using the graphical user interface PWGui, by Anton Kokalj.

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