MARVEL Junior Seminar — February 2018

February 08, 2018, from 12:15 until 13:30, EPFL, MED 0 1418

Welcome to the 13th MARVEL Junior Seminar on Thursday February 8, 2018, 12:15 pm, EPFL, room MED 0 1418.

Spyros Zoupanos (EPFL, THEOS) gives a presentation on 'Overview of some of the latest AiiDA developments' and Senja Barthel (EPFL, LSMO) on 'Zeolites, triply periodic minimal surfaces, tilings, and carbon'. The seminar is facilitated by Michele Pizzochero.

The MARVEL Junior Seminars aim to intensify interactions between the MARVEL Junior scientists belonging to different research groups located at EPFL. The EPFL community interested in MARVEL research topics is very welcome to attend. We believe that these events will be central for establishing a vibrant community.

Each seminar consists of two presentations of 25 minutes each, allowing to present on a scientific question in depth, each presentation being followed by 10 minutes for discussion. The discussion is facilitated and timed by the chairperson of the day whose mission is to ensure active lively interactions between the audience and the speakers.

Pizza is served as of 11:45 in the MED hall (floor 0), and after the seminar at 13:30 you are cordially invited for coffee and dessert to continue discussion with the speakers.

MARVEL Junior Seminar Organizing Committee — Ariadni Boziki, Francesco Ambrosio, Davide Campi, Sandip De, Gloria Capano, Michele Pizzochero, Quang Van Nguyen, Kun-Han Lin, Francesco Maresca and Nathalie Jongen

Check the list of the next MARVEL Junior Seminars here.

Abstract Overview of some of the latest AiiDA developments -  Spyros Zoupanos

Materials science has greatly benefited from the computational boom of the recent years, which is continuously boosting research, the discovery of new materials and the development of simulation codes. The AiiDA open-source platform provides researchers with a tool that implements the four “ADES" requirement pillars of Automation, Data, Environment and Sharing. AiiDA is continuously being developed and has matured into an ecosystem with multiple backend options for increased performance and flexibility, a powerful graph querying tool for easy result analysis, a redesigned plugin system to simplify external user contributions, new more powerful and easy to write workflows, new sharing capabilities and a continuous integration system to ensure the stability of the platform. In this talk, we will present some of the latest AiiDA developments but also lessons learned during the development procedure.

Abstract Zeolites, triply periodic minimal surfaces, tilings, and carbon -  Senja Barthel

We predict the types of Schwarzites that are experimentally accessible via zeolite-templating. Schwarzites are carbon decorated triply periodic minimal surfaces. The talk focuses on the theoretical part: We show how to geometrically predict the carbon surfaces directly from the zeolite frameworks. To describe the surfaces, we introduce natural tilings and their dual nets.

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