Quantum Visual Interactive Toolkit for Abinitio Simulation


Quantum calculations, easily accessed graphically yet fully controllable

QuantumVITAS (Quantum Visualization Interacting Toolkit for Ab-initio Simulations) is a software aiming at bringing user friendly graphical user interface to quantum chemistry software. In the current stage Quantum ESPRESSO is the calculation engine.

All-in-one solution

Bundled with Quantum Espresso engine and pseudopotential libraries, quantumVITAS works directly out of the box.

Open source, free, yet ambitious

QuantumVITAS is open source under the general public license, which ensures that everyone is free to use and contribute.

We are actively collecting feedbacks and suggestions from different sources. We believe that the active engagement of the community is crucial for delivering a useful software.

Portable, easy upgradability

No need of installation.

Only need to download and replace the core program (a few megabytes) to upgrade.

Run on various platforms – Windows, Linux or Mac OS

Most quantum chemistry software runs on Linux via command line. You don’t have to be limited by that.

Transparent workflow

Capable of handling not only small but also complex calculations.

Feature highlights

  • Easy navigation through projects/calculations
  • Multiple calculations supported
  • Optional panes and reset default functionalities to maximize control while allowing the user to focus on relevant parameters
  • Popular pseudopotential libraries included (SSSP and PseudoDojo), extendable to PSlibrary
  • Various visualizations
  • See more in github