Automated Interactive Infrastructure and Database for Computational Science

If you use AiiDA please cite:
AiiDA 1.x
Main paper: S.P. Huber et al., Scientific Data 7, 300 (2020)
AiiDA engine: M. Uhrin et al., Comp. Mat. Sci. 187 (2021)

AiiDA 0.x
First paper, ADES model: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access version)


Open position in the AiiDA team in collaboration with ChemAlive

👤 🕔 November 3, 2017 Comments Off on Open position in the AiiDA team in collaboration with ChemAlive

Integration of AiiDA’s Automation Tools and ChemAlive’s Cloud Quantum Chemistry Platform

An open position for a software engineer/data scientist is available at EPFL (Lausanne, Switzerland) in the group of Prof. Nicola Marzari and in synergy with the MARVEL NCCR ( The position is funded through a partnership with ChemAlive (, a company hosted at EPFL Innovation Park, and the Swiss Commission for Technology and Innovation, through a project grant.

The primary goal of the current 1.5-year project is to integrate the AiiDA ( platform into the ChemAlive interface. This will entail coding plugins for common open-source quantum chemistry packages (NWchem, CP2K) and re-coding and further development of workflows developed by ChemAlive into the workflow engine of AiiDA to accomplish complex automation routines using a Python scripting environment.

For additional details on this opening (including requirements and how to apply), see