Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.
☆28Apr 2, 2026Updated last week
Alternatives and similar repositories for espresso
Users that are interested in espresso are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An introduction to DFT.☆14May 17, 2024Updated last year
- Python input file generators for Avogadro 2☆16Apr 1, 2026Updated last week
- Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite☆19Jul 1, 2024Updated last year
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Install script collection for open-source software☆14Oct 2, 2025Updated 6 months ago
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated 9 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Sep 13, 2025Updated 6 months ago
- Abinit tutorials based on AbiPy☆18Mar 30, 2022Updated 4 years ago
- Quantum Visualization Interacting Toolkit for Ab-initio Simulations☆76Updated this week
- CP2K binaries for 32/64 bit Windows☆31Jan 12, 2026Updated 3 months ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Updated this week
- A collection of examples for running different types of VASP calculations.☆33Oct 30, 2016Updated 9 years ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆21Jan 20, 2025Updated last year
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and tr…☆34Oct 15, 2025Updated 5 months ago
- Common molecule fragments for visualization in Avogadro☆17Apr 1, 2026Updated last week
- Machine learning framework for electronic structure prediction of molecules☆19Sep 5, 2017Updated 8 years ago
- Computing anomalous Hall conductivity in OpenMX☆12Sep 23, 2025Updated 6 months ago
- BURAI, a GUI system of Quantum ESPRESSO☆72May 7, 2021Updated 4 years ago
- Qbox public repository☆39Apr 24, 2025Updated 11 months ago
- A Virtual Machine for computational materials science☆95Mar 27, 2026Updated 2 weeks ago
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆658Updated this week
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- C++ based DFT program for educational purposes☆63Dec 14, 2024Updated last year
- The EXP-T program package is designed for high-precision modeling of molecular electronic structure using the relativistic Fock space mul…☆20Jun 10, 2025Updated 10 months ago
- Generate isosurface from density data☆14Mar 7, 2026Updated last month
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- mumax3 calculator.☆26Updated this week
- ☆17May 29, 2024Updated last year
- Let's benchmark quantum chemistry packages!☆23Nov 3, 2020Updated 5 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Feb 27, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 2 years ago
- A poor man's density functional theory program☆14Feb 1, 2026Updated 2 months ago
- A Julia package for fitting the equation of state of solids, and more☆15Sep 18, 2025Updated 6 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- Workshop: Micromagnetics with Ubermag☆29Feb 10, 2023Updated 3 years ago
- An offline corepresentation database and tool set for 1651 magnetic space groups.☆14Mar 23, 2023Updated 3 years ago
- SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software pack…☆11Oct 13, 2017Updated 8 years ago