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Carl Simon Adorf

Computational Materials Scientist

Dr. Adorf is a computational scientist and research software engineer in the THEOS group led by Nicola Marzari at EPFL in Lausanne, Switzerland. He works on advancing the scientific research software infrastructure as work package manager for the H2020 Materials Modeling MarketPlace project and project team lead for the AiiDAlab simulation-as-a-service web platform ( Previously, he obtained his Ph.D. at the University of Michigan, Ann Arbor, where he employed machine learning methods for materials inverse design and the study of colloidal crystallization pathways.

As part of his responsibilities he is maintaining and contributing to various open-science and open-source projects, including the Materials Cloud ( and the AiiDA informatics platform ( He also helps maintain the signac data and workflow management framework ( — a project that he launched in 2015 and that since then has seen widespread adoption across various research groups in the U.S. and Europe and is affiliated with the NumFOCUS organization as of 2019.

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