Automated Interactive Infrastructure and Database for Computational Science

AiiDA is a flexible and scalable informatics' infrastructure to manage, preserve, and disseminate the simulations, data, and workflows of modern-day computational science. Able to store the full provenance of each object, and based on a tailored database built for efficient data mining of heterogeneous results, AiiDA gives the user the ability to interact seamlessly with any number of remote HPC resources and codes, thanks to its flexible plugin interface and workflow engine for the automation of complex sequences of simulations.

Journal ref: G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci. 111, 218-230 (2016)

Open access link: arXiv:1504.0116


Open position for a software engineer/web developer – MARVEL, EPFL, Switzerland

👤 🕔 April 28, 2017 Comments Off on Open position for a software engineer/web developer – MARVEL, EPFL, Switzerland

An open position for a software engineer/web developer is available at EPFL (Lausanne, Switzerland) in the MARVEL NCCR ( Excellent candidates are sought with experience in the development of complex web architectures powered by cloud technologies, to support the development and deployment of the Materials Cloud (, a web portal for computational materials science powered by AiiDA (

For interested applicants scientific research challenges can also be incorporated in the effort, but this is not a requirement.

AiiDA is a materials’ informatics framework that acts as a flexible and scalable infrastructure to manage high-throughput computations; Materials Cloud is a portal for computational materials science and an online cloud platform. Such infrastructure underpins the efforts of the MARVEL NCCR; close collaboration takes also place with the H2020 Centre of Excellence MaX for “Materials Design at the Exascale” (

The project will focus on research case studies for the existing Materials Cloud platform, with primary focus on the portal frontend (in AngularJS) and optimization of its user interface and its ergonomic design, as well as support for the backend development (Python+Flask).
The software engineer would work with a team of 10+ PhD students, postdocs, and software specialists with diverse backgrounds (physicists, chemists, materials scientists and computer scientists) contributing both to AiiDA and the Materials Cloud.

Candidates should submit 1) a full CV, including contacts for at least two references, and 2) a cover letter of intent. These documents (PDF only) should be emailed to both and, with the exact text “MARVEL Web Engineer” in the subject line.
For best consideration, applications should be submitted by May 31st; the position will remain open until filled.

Duration of the contract: 1-year, renewable.

For additional details on this opening, see