| Votes | By | Price | Discipline | Year Launched |
| Quantum ESPRESSO | FREE OPEN SOURCE | Quantum mechanics |
Quantum ESPRESSO is an integrated suite of open-source computer codes for electronic-structure calculations and materials modelling at the nanoscale. It is built upon density-functional theory (DFT), plane‐waves, and pseudopotentials. The project is structured as a distribution of interoperable codes — a “core” set supplemented with plug-ins and third-party packages, reflecting its open‐source ethos and broad collaboration across many research groups worldwide. Quantum ESPRESSO The software is coordinated by the Quantum ESPRESSO Foundation, which brings together various institutions (such as SISSA, ICTP, CINECA, EPFL, The University of Texas at Austin, and CNR–Italy) to oversee development, distribution and community interaction. Quantum ESPRESSO At its heart, the “manifesto” of the software emphasises openness, community contributions, interoperability, and enabling high‐quality quantum simulations for materials science.
Limitations
Despite its strength and widespread use, Quantum ESPRESSO users often encounter several limitations.
- Steep learning curve
- Limited Documentation and user‐support expectations