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 (http://marvel-nccr.ch). The position is funded through a partnership with ChemAlive (http://www.chemalive.com), 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 (www.aiida.net) 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 http://theossrv1.epfl.ch/uploads/Main/Openings/2017_11_THEOS_ChemAlive_AiiDA.pdf