Fast plane wave periodic DFT + great GUI
Build, optimize, band structures, DOS
Out of the box binaries Windows, Mac, Linux
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or see other products in the Amsterdam Modeling Suite
Quantum ESPRESSO is an open-source plane-wave periodic density functional theory code, the active development of which is coordinated by the Quantum ESPRESSO foundation. The SCM team has built binaries for single-node Windows, Mac & Linux, which you can download & use straight from the Graphical User Interface. With our 2022 release of the Amsterdam Modeling Suite (AMS2022) we ship Quantum ESPRESSO 7.0 binaries for Windows, MacOS & Linux.
The GUI makes getting started with Quantum ESPRESSO a breeze: it will download and install the binaries and pseudopotentials for you. Furthermore the GUI supports building structures, running & visualizing geometry optimizations, band structures, and (partial) DOS. There is also support for Car-Parrinello MD (CPMD).
Future projects include phonons, electron-phonon coupling and other properties. Let us know which features are of most interest to you!
Within the Amsterdam Modeling Suite it is also easy to switch between Quantum ESPRESSO and any of our other modules, such as the atomic orbital-based periodic DFT code BAND.
See the tutorialsPlane-wave periodic codes such as Quantum ESPRESSO are usually fast for dense many-electron systems by virtue of the pseudopotential or projector-augmented wave approximation. This is why SCM started developing GUI support for it, while still continuing the development of our own AO-based periodic DFT code BAND.
The atom-centered basis functions ansatz in BAND offers a number of interesting features which complement speedy plane-wave calculations: