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We found Websites Listing below when search with quantum-espresso.org on Search Engine
Home Page - Quantum Espresso
Quantum ESPRESSO. Is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. READ MORE.
Quantum-espresso.orgDA: 24 PA: 24 MOZ Rank: 25
about - Foundation Quantum Espesso
The foundation’s objectives The foundation fosters and supports the design, implementation, maintenance, and free dissemination of high-quality, high-performance open-source scientific software for ab-initio quantum numerical modeling of materials. This will be done by: Coordinating and supporting research within the developer community, to enhance the scope …
Foundation.quantum-espresso.orgDA: 31 PA: 7 MOZ Rank: 39
Quantum ESPRESSO | The OpenScience Project
I just got email from Brandon Wood about an open source project called Quantum Espresso (formerly known as PWSCF), which is a rather extensive open-source project for DFT-based electronic structure calculations. It appears to be a refactoring of some established codes (PWscf, PHONON, CP90, FPMD, Wannier) that have been developed and tested by some of …
Openscience.orgDA: 15 PA: 18 MOZ Rank: 35
Quantum ESPRESSO · GitHub
Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite Fortran 14 GPL-2.0 8 1 1 Updated Apr 21, 2022 qe_test_openacc Public
Github.comDA: 10 PA: 4 MOZ Rank: 17
Quantum ESPRESSO input generator and structure visualizer
About the Quantum ESPRESSO input generator and structure visualizer 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 …
Materialscloud.orgDA: 22 PA: 28 MOZ Rank: 54
quantum espresso degauss – quantum espresso tutorial
Quantum ESPRESSO is an integrated suite of computer codes forelectronic-structure calculations and materials modeling at thenanoscale It is based on density-functional theory planewavesand pseudopotentials both norm-conserving and ultrasoft, Standard Quantum Espresso units for degauss is Ry and you should use that 0 votes 0 thanks Ajmalghan M I …
Pacedton.meDA: 15 PA: 50 MOZ Rank: 72
support us - Foundation Quantum Espesso
Support us. Quantum ESPRESSO is a community project. It exists thanks to the passion of a community of developers around the world who dedicate their time and scientific knowledge to enhance the scope and the performance of the code, for the benefit of all. We are a non-profit organization, not a commercial company. We count on donations ...
Foundation.quantum-espresso.orgDA: 31 PA: 12 MOZ Rank: 49
Quantum ESPRESSO - Wikipedia
Quantum ESPRESSO is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License.It is based on density-functional theory, plane wave basis sets, and pseudopotentials (both norm-conserving and ultrasoft). ESPRESSO is an acronym for opEn-Source Package for Research …
En.wikipedia.orgDA: 16 PA: 22 MOZ Rank: 45
Quantum ESPRESSO - CC Doc
Quantum ESPRESSO has evolved into a distribution of independent and inter-operable codes in the spirit of an open-source project. The Quantum ESPRESSO distribution consists of a “historical” core set of components, and a set of plug-ins that perform more advanced tasks, plus a number of third-party packages designed to be inter-operable with the core components. …
Docs.computecanada.caDA: 21 PA: 22 MOZ Rank: 51
Quantum ESPRESSO - AMD
Quantum ESPRESSO ® (QE) is an integrated suite of open-source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
Developer.amd.comDA: 17 PA: 24 MOZ Rank: 50
Quantum ESPRESSO | Schrödinger
Quantum ESPRESSO, developed by Quantum ESPRESSO Foundation, is the leading high-performance, open-source quantum mechanical software package for nanoscale modeling of materials. 1 Quantum ESPRESSO implements plane wave density-functional theory in conjunction with periodic boundary conditions and pseudopotentials. Schrödinger's Materials …
Schrodinger.comDA: 19 PA: 26 MOZ Rank: 55
Quantum-espresso.org Net Promoter Score 2022 Benchmarks
Quantum-espresso.org's Net Promoter Score is based on responses to a single question, typically on a scale from 0 to 10: "How likely are you to recommend Quantum-espresso.org to a friend or colleague?. Quantum-espresso.org's promoters are those who respond with a score of 9 to 10, and they are likely to create most value, such as buying more, remaining customers …
Netpromoterscore.guruDA: 21 PA: 21 MOZ Rank: 53
Quantum ESPRESSO - Documentation
Quantum ESPRESSO (QE) is "an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials." (see the Quantum Espresso home page ). In general, it runs well on LUMI-C.
Docs.lumi-supercomputer.euDA: 26 PA: 35 MOZ Rank: 73
QUANTUM ESPRESSO: a modular and open-source software …
QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Packag …
Pubmed.ncbi.nlm.nih.govDA: 23 PA: 10 MOZ Rank: 46
2022-05 NITheCS Mini-School: Kingsely Obodo and Cecil Ouma: …
2022-05 NITheCS Mini-School: Kingsely Obodo and Cecil Ouma:Quantum EspressoDescriptionIn this mini-school, we will teach Quantum ESPRESSO (QE), …
Youtube.comDA: 15 PA: 6 MOZ Rank: 35
quantum-espresso - openSUSE Software
Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. There is no official package available for openSUSE Leap 15.3 Distributions openSUSE Tumbleweed. official release Official. 6.8 Expert Download …
Software.opensuse.orgDA: 21 PA: 25 MOZ Rank: 61
AiiDA plugin for Quantum ESPRESSO — aiida-quantumespresso …
For an overview of the plugin’s compatibility with Python, AiiDA and Quantum ESPRESSO, please refer to the README.md of the repository. Getting Started# A good place to get started with running Quantum ESPRESSO calculations using AiiDA is the AiiDA Quantum ESPRESSO tutorial on the main AiiDA tutorials page.
Aiida-quantumespresso.readthedocs.ioDA: 36 PA: 11 MOZ Rank: 63
QUANTUM ESPRESSO: a modular and open-source software …
QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm ...
Researchgate.netDA: 20 PA: 50 MOZ Rank: 33
Quantum ESPRESSO | WestGrid
A few points about using Quantum ESPRESSO on various WestGrid systems are given below. Please write to [email protected] if you have questions about running this software on WestGrid machines. Like other jobs on WestGrid systems, Quantum ESPRESSO jobs are run by submitting an appropriate script for batch scheduling using the qsub command. See ...
Westgrid.caDA: 15 PA: 34 MOZ Rank: 67
AiiDA Quantum ESPRESSO tutorial — AiiDA Tutorials documentation
Quantum Mobile is a virtual machine that provides a ready-to-run environment for computational materials science. We have prepared a custom VirtualBox image for this tutorial, you can find it via this link.. Download the image and install VirtualBox 6.1.6 or later. Once you have VirtualBox installed, you should be able to import the .ova file by simply double clicking it.
Aiida-tutorials.readthedocs.ioDA: 30 PA: 22 MOZ Rank: 71
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