You can apply to participate and find all the relevant information (speakers, abstracts, program,...) on the event website: https://www.cecam.org/workshop-details/fair-data-management-of-theoretical-spectroscopy-and-greens-function-methods-1377.
\r\n
\r\nRegistration is required to attend the full event, take part in the social activities and present a poster at the poster session (if any). However, the EPFL community is welcome to attend specific lectures without registration if the topic is of interest to their research. Do not hesitate to contact the CECAM Event Manager if you have any question.
\r\n
\r\nDescription
\r\n
\r\nBig-data-driven methodologies have emerged as a fundamental paradigm of science, but require an enormous amount of resources to achieve their promised impact. The FAIR (Findable, Accessible, Interoperable, and Reusable) data principles [1] ensure that scientific data can be shared and reutilized, providing an efficient route for accumulating data and taking advantage of these powerful techniques. FAIR data management allows essential knowledge to be systematically extracted from data, accelerating discoveries and innovations across various domains [2]. Furthermore, open science is essential for the verifiability and reproducibility of results and has been a topic of major discussion over the last decade. In materials science, data-driven methodologies, coupled with the appropriate FAIR data management practices, are invaluable for the discovery of new materials due to the vast combinatorial space of chemical systems that emerge from the periodic table [3, 4]. Such methodologies have been successfully applied, e.g., to design and predict new materials with desired properties using ab-initio ground state simulations, i.e., data generated from Density Functional Theory (DFT) calculations [5]. However, there remains a critical gap in replicating this success in the context of other simulation frameworks.
\r\nTheoretical spectroscopy and Green's function method simulations [6, 7], including data simulated using the GW approximation, Time-Dependent Density Functional Theory (TDDFT), the Bethe-Salpeter equation (BSE), Dynamical Mean-Field Theory (DMFT), and Korringa-Kohn-Rostoker (KKR), pose especially difficult challenges in the context of FAIR data management. These simulations not only involve extensive computational resources and produce large datasets with associated complex workflows but are also executed using a large variety of public and in-house simulation software. At the same time, these methodologies are essential for understanding excited state properties of complex materials; they are more accurate than DFT calculations and provide better comparisons with experimental results since they incorporate excited states and electronic correlation effects in a more consistent manner [8].
\r\nThere has recently been a number of individual efforts to improve the accessibility of data produced by theoretical spectroscopy and Green’s function methods through the usage of publicly accessible databases. For example, the Computational Materials Repository (CMR) [9] contains several individual databases, amongst which the Computational 2D Materials Database (C2DB) [10] contains GW and BSE data for a specific set of parameters and properties. The MaterialsCloud [11] database has some individual datasets published for these methodologies, however there is not a clear data structure for them. The NIST-JARVIS [12] database has a specific app for BeyondDFT simulations with DMFT data, but only for a specific simulation code. By making datasets findable, these efforts aim to avoid redundant computations and thus build upon existing work more efficiently. While these efforts represent an important step in the right direction, they fall short of fully achieving their goal due to a continued lack of consistency (i.e., interoperability) between individual databases. Moreover, these self-managed databases typically lack the ability to store the complete provenance of the simulated workflow, which is essential to ensure reproducibility.
\r\nRecently, FAIRmat [13], a consortium of the German research data infrastructure (NFDI) association, was formed to construct a scalable data infrastructure for Materials Science that can be easily customized for individual communities. This infrastructure consists of a primary software and repository called NOMAD [14]—a free web-service that enables the organization, analysis, sharing, and publishing of materials science data. One of the tasks within FAIRmat’s scope is to build support for theoretical spectroscopy and Green’s function simulations within NOMAD. Support for several of these methodologies have now been successfully built, and there already exists over 10 000 entries in the NOMAD repository containing GW [15], BSE [16], and DMFT [17] data, along with the full provenance of the corresponding complex workflows. The next step to developing a FAIR data infrastructure for these methods is to tackle the interoperability problem.
\r\nInteroperability within this domain is extremely challenging due to the heterogeneous character of theoretical spectroscopy and Green’s function simulations. Consequently, the adoption of common structures (e.g., describing the Green’s function, the self-energy, or the dielectric function) is the key for improving interoperability. Thus, various members of the community, including method developers, materials and data scientists, and data management experts, must come together to reach a consensus on specific common data structures.
\r\n
\r\nReferences
\r\n
\r\n[1] Computational Materials Repository (CMR) website
\r\n[2] S. Di Cataldo, P. Worm, J. Tomczak, L. Si, K. Held, Nat. Commun., 15, 3952 (2024)
\r\n[3] F. Meng, B. Maurer, F. Peschel, S. Selcuk, M. Hybertsen, X. Qu, C. Vorwerk, C. Draxl, J. Vinson, D. Lu, Phys. Rev. Materials, 8, 013801 (2024)
\r\n[4] M. van Setten, F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J. Deslippe, S. Louie, C. Yang, F. Weigend, J. Neaton, F. Evers, P. Rinke, J. Chem. Theory Comput., 11, 5665-5687 (2015)
\r\n[5] M. Scheidgen, L. Himanen, A. Ladines, D. Sikter, M. Nakhaee, Á. Fekete, T. Chang, A. Golparvar, J. Márquez, S. Brockhauser, S. Brückner, L. Ghiringhelli, F. Dietrich, D. Lehmberg, T. Denell, A. Albino, H. Näsström, S. Shabih, F. Dobener, M. Kühbach, R. Mozumder, J. Rudzinski, N. Daelman, J. Pizarro, M. Kuban, C. Salazar, P. Ondračka, H. Bungartz, C. Draxl, JOSS., 8, 5388 (2023)
\r\n[6] FAIRmat website
\r\n[7] K. Choudhary, K. Garrity, A. Reid, B. DeCost, A. Biacchi, A. Hight Walker, Z. Trautt, J. Hattrick-Simpers, A. Kusne, A. Centrone, A. Davydov, J. Jiang, R. Pachter, G. Cheon, E. Reed, A. Agrawal, X. Qian, V. Sharma, H. Zhuang, S. Kalinin, B. Sumpter, G. Pilania, P. Acar, S. Mandal, K. Haule, D. Vanderbilt, K. Rabe, F. Tavazza, npj. Comput. Mater., 6, 173 (2020)
\r\n[8] L. Talirz, S. Kumbhar, E. Passaro, A. Yakutovich, V. Granata, F. Gargiulo, M. Borelli, M. Uhrin, S. Huber, S. Zoupanos, C. Adorf, C. Andersen, O. Schütt, C. Pignedoli, D. Passerone, J. VandeVondele, T. Schulthess, B. Smit, G. Pizzi, N. Marzari, Sci. Data., 7, 299 (2020)
\r\n[9] S. Haastrup, M. Strange, M. Pandey, T. Deilmann, P. Schmidt, N. Hinsche, M. Gjerding, D. Torelli, P. Larsen, A. Riis-Jensen, J. Gath, K. Jacobsen, J. Jørgen Mortensen, T. Olsen, K. Thygesen, 2D Mater., 5, 042002 (2018)
\r\n[10] M. Wilkinson, M. Dumontier, I. Aalbersberg, G. Appleton, M. Axton, A. Baak, N. Blomberg, J. Boiten, L. da Silva Santos, P. Bourne, J. Bouwman, A. Brookes, T. Clark, M. Crosas, I. Dillo, O. Dumon, S. Edmunds, C. Evelo, R. Finkers, A. Gonzalez-Beltran, A. Gray, P. Groth, C. Goble, J. Grethe, J. Heringa, P. ’t Hoen, R. Hooft, T. Kuhn, R. Kok, J. Kok, S. Lusher, M. Martone, A. Mons, A. Packer, B. Persson, P. Rocca-Serra, M. Roos, R. van Schaik, S. Sansone, E. Schultes, T. Sengstag, T. Slater, G. Strawn, M. Swertz, M. Thompson, J. van der Lei, E. van Mulligen, J. Velterop, A. Waagmeester, P. Wittenburg, K. Wolstencroft, J. Zhao, B. Mons, Sci. Data., 3, 160018 (2016)
\r\n[11] L. Reining et al., Comptes Rendus Physique 10, 6 (2009)
\r\n[12] V. Blum, R. Asahi, J. Autschbach, C. Bannwarth, G. Bihlmayer, S. Blügel, L. Burns, T. Crawford, W. Dawson, W. de Jong, C. Draxl, C. Filippi, L. Genovese, P. Giannozzi, N. Govind, S. Hammes-Schiffer, J. Hammond, B. Hourahine, A. Jain, Y. Kanai, P. Kent, A. Larsen, S. Lehtola, X. Li, R. Lindh, S. Maeda, N. Makri, J. Moussa, T. Nakajima, J. Nash, M. Oliveira, P. Patel, G. Pizzi, G. Pourtois, B. Pritchard, E. Rabani, M. Reiher, L. Reining, X. Ren, M. Rossi, H. Schlegel, N. Seriani, L. Slipchenko, A. Thom, E. Valeev, B. Van Troeye, L. Visscher, V. Vlcek, H. Werner, D. Williams-Young, T. Windus, Electron. Struct., (2024)
\r\n[13] L. Ghiringhelli, C. Baldauf, T. Bereau, S. Brockhauser, C. Carbogno, J. Chamanara, S. Cozzini, S. Curtarolo, C. Draxl, S. Dwaraknath, Á. Fekete, J. Kermode, C. Koch, M. Kühbach, A. Ladines, P. Lambrix, M. Himmer, S. Levchenko, M. Oliveira, A. Michalchuk, R. Miller, B. Onat, P. Pavone, G. Pizzi, B. Regler, G. Rignanese, J. Schaarschmidt, M. Scheidgen, A. Schneidewind, T. Sheveleva, C. Su, D. Usvyat, O. Valsson, C. Wöll, M. Scheffler, Sci. Data., 10, 626 (2023)
\r\n[14] J. Schmidt, M. Marques, S. Botti, M. Marques, npj. Comput. Mater., 5, 83 (2019)
\r\n[15] L. Himanen, A. Geurts, A. Foster, P. Rinke, Advanced Science, 6, (2019)
\r\n[16] M. Scheffler, M. Aeschlimann, M. Albrecht, T. Bereau, H. Bungartz, C. Felser, M. Greiner, A. Groß, C. Koch, K. Kremer, W. Nagel, M. Scheidgen, C. Wöll, C. Draxl, Nature, 604, 635-642 (2022)
\r\n[17] C. Draxl, M. Scheffler, MRS Bull., 43, 676-682 (2018)
Come to SPOT on the first Thursday of every month to repair your damaged and broken items instead of throwing them away! This Repair Cafe aims to combat overconsumption and waste production by extending the life of objects and showing how we can move towards a circular economy. We want to promote the reuse of everyday items of all kinds, from appliances to clothing, by providing easy access to repair experts while teaching people how to fix things themselves.
","image_description":"","creation_date":"2026-02-20T09:41:13","last_modification_date":"2026-02-20T09:41:13","link_label":"Website Fix N'replace","link_url":"https://unipoly.ch/en/fix_n_replace-english/","canceled":"False","cancel_reason":"","place_and_room":"DLLEL 0 28","url_place_and_room":"https://plan.epfl.ch/?room==DLLEL%200%2028","url_online_room":"","spoken_languages":["https://memento.epfl.ch/api/v1/spoken_languages/1/?format=json","https://memento.epfl.ch/api/v1/spoken_languages/2/?format=json"],"speaker":"Fix N'replace, la fripperie","organizer":"Fix N'replace","contact":"Eileen Rheinboldt-Tran: eileen.rheinboldt-tran@epfl.ch Fix N'Replace - Unipoly https://unipoly.ch/fix_n_replace/ ","is_internal":"False","theme":"","vulgarization":{"id":1,"fr_label":"Tout public","en_label":"General public"},"registration":{"id":3,"fr_label":"Entrée libre","en_label":"Free"},"keywords":"","file":null,"icalendar_url":"https://memento.epfl.ch/event/export/119817/","category":{"id":1,"code":"CONF","fr_label":"Conférences - Séminaires","en_label":"Conferences - Seminars","activated":true},"academic_calendar_category":null,"domains":[],"mementos":["https://memento.epfl.ch/api/v1/mementos/145/?format=json","https://memento.epfl.ch/api/v1/mementos/10/?format=json","https://memento.epfl.ch/api/v1/mementos/398/?format=json","https://memento.epfl.ch/api/v1/mementos/79/?format=json","https://memento.epfl.ch/api/v1/mementos/6/?format=json"]},{"id":71462,"title":"Honorary Lecture, Prof. Marco Bakker","slug":"honorary-lecture-prof-marco-bakker","event_url":"https://memento.epfl.ch/event/honorary-lecture-prof-marco-bakker","visual_url":"https://memento.epfl.ch/image/32811/200x112.jpg","visual_large_url":"https://memento.epfl.ch/image/32811/720x405.jpg","visual_maxsize_url":"https://memento.epfl.ch/image/32811/max-size.jpg","lang":"en","start_date":"2026-05-05","end_date":"2026-05-05","start_time":"17:30:00","end_time":"19:30:00","description":"Date: 05 May 2026Conflicts are part of daily life and commonly arise in a business environment. Poorly managed, or not properly resolved, they can cause significant harm, both on an interpersonal level and for the organisation itself. Productivity may be affected and finances impacted as a result of tensions between colleagues.
\r\n
\r\nDifferent approaches to conflict management are increasingly being used, helping clarify messy situations, lessening the tensions and enabling employees to continue to work together.
\r\n
\r\nThis seminar presents several separate yet related methods of conflict management. One of which, mediation, enables the parties in dispute to work towards a viable solution by taking into account all the different aspects of the problem. The mediator, as a neutral third party, uses tools and communication skills to help the parties elaborate, themselves, mutually satisfactory solutions. Participants will learn skills that will enable them to understand conflict and to manage, and ultimately resolve, disputes.
Prendre sa retraite après un long parcours professionnel ne va pas forcément de soi, si l'on pense à la place prise par le travail dans son parcours de vie. Le séminaire a pour objectif d'aider les participant.e.s à identifier les changement que cette transition introduira dans leur existence, afin d'anticiper et construire un nouvel équilibre de vie. Il s'agit également de conscientiser tous les aspects de cette période de la vie et les adaptations à réaliser, seul.e ou en couple, ainsi qui de définir les axes principaux et futures activités et projets. Les questions liées aux aspects financiers et au maintien de son capital santé, sont aussi abordées.
","image_description":"","creation_date":"2025-11-11T16:06:21","last_modification_date":"2025-11-17T12:54:15","link_label":"Inscription","link_url":"https://epfl.eu.crossknowledge.com/site/m/public_training/705","canceled":"False","cancel_reason":"","place_and_room":"","url_place_and_room":"","url_online_room":"","spoken_languages":["https://memento.epfl.ch/api/v1/spoken_languages/1/?format=json"],"speaker":"AvantAge","organizer":"KeepLearning","contact":"keeplearning@epfl.ch","is_internal":"True","theme":"","vulgarization":{"id":1,"fr_label":"Tout public","en_label":"General public"},"registration":{"id":1,"fr_label":"Sur inscription","en_label":"Registration required"},"keywords":"","file":null,"icalendar_url":"https://memento.epfl.ch/event/export/118547/","category":{"id":15,"code":"FORM","fr_label":"Formations internes","en_label":"Internal trainings","activated":true},"academic_calendar_category":null,"domains":[],"mementos":["https://memento.epfl.ch/api/v1/mementos/145/?format=json","https://memento.epfl.ch/api/v1/mementos/431/?format=json","https://memento.epfl.ch/api/v1/mementos/6/?format=json"]},{"id":70384,"title":"Préparer sa vie post-professionnelle","slug":"preparer-sa-vie-post-professionnelle-6","event_url":"https://memento.epfl.ch/event/preparer-sa-vie-post-professionnelle-6","visual_url":"https://memento.epfl.ch/image/31843/200x112.jpg","visual_large_url":"https://memento.epfl.ch/image/31843/720x405.jpg","visual_maxsize_url":"https://memento.epfl.ch/image/31843/max-size.jpg","lang":"en","start_date":"2026-09-24","end_date":"2026-09-25","start_time":"08:45:00","end_time":"16:30:00","description":"Prendre sa retraite après un long parcours professionnel ne va pas forcément de soi, si l'on pense à la place prise par le travail dans son parcours de vie. Le séminaire a pour objectif d'aider les participant.e.s à identifier les changement que cette transition introduira dans leur existence, afin d'anticiper et construire un nouvel équilibre de vie. Il s'agit également de conscientiser tous les aspects de cette période de la vie et les adaptations à réaliser, seul.e ou en couple, ainsi qui de définir les axes principaux et futures activités et projets. Les questions liées aux aspects financiers et au maintien de son capital santé, sont aussi abordées.
","image_description":"","creation_date":"2025-11-11T16:06:52","last_modification_date":"2025-11-17T12:53:57","link_label":"Inscription","link_url":"https://epfl.eu.crossknowledge.com/site/m/public_training/705","canceled":"False","cancel_reason":"","place_and_room":"","url_place_and_room":"","url_online_room":"","spoken_languages":["https://memento.epfl.ch/api/v1/spoken_languages/1/?format=json"],"speaker":"AvantAge","organizer":"KeepLearning","contact":"keeplearning@epfl.ch","is_internal":"True","theme":"","vulgarization":{"id":1,"fr_label":"Tout public","en_label":"General public"},"registration":{"id":1,"fr_label":"Sur inscription","en_label":"Registration required"},"keywords":"","file":null,"icalendar_url":"https://memento.epfl.ch/event/export/118549/","category":{"id":15,"code":"FORM","fr_label":"Formations internes","en_label":"Internal trainings","activated":true},"academic_calendar_category":null,"domains":[],"mementos":["https://memento.epfl.ch/api/v1/mementos/145/?format=json","https://memento.epfl.ch/api/v1/mementos/431/?format=json","https://memento.epfl.ch/api/v1/mementos/6/?format=json"]},{"id":70385,"title":"Préparer sa vie post-professionnelle","slug":"preparer-sa-vie-post-professionnelle-5","event_url":"https://memento.epfl.ch/event/preparer-sa-vie-post-professionnelle-5","visual_url":"https://memento.epfl.ch/image/31844/200x112.jpg","visual_large_url":"https://memento.epfl.ch/image/31844/720x405.jpg","visual_maxsize_url":"https://memento.epfl.ch/image/31844/max-size.jpg","lang":"en","start_date":"2026-11-02","end_date":"2026-11-03","start_time":"08:45:00","end_time":"16:30:00","description":"Prendre sa retraite après un long parcours professionnel ne va pas forcément de soi, si l'on pense à la place prise par le travail dans son parcours de vie. Le séminaire a pour objectif d'aider les participant.e.s à identifier les changement que cette transition introduira dans leur existence, afin d'anticiper et construire un nouvel équilibre de vie. Il s'agit également de conscientiser tous les aspects de cette période de la vie et les adaptations à réaliser, seul.e ou en couple, ainsi qui de définir les axes principaux et futures activités et projets. Les questions liées aux aspects financiers et au maintien de son capital santé, sont aussi abordées.
","image_description":"","creation_date":"2025-11-11T16:07:20","last_modification_date":"2025-11-17T12:53:37","link_label":"Inscription","link_url":"https://epfl.eu.crossknowledge.com/site/m/public_training/705","canceled":"False","cancel_reason":"","place_and_room":"","url_place_and_room":"","url_online_room":"","spoken_languages":["https://memento.epfl.ch/api/v1/spoken_languages/1/?format=json"],"speaker":"AvantAge","organizer":"KeepLearning","contact":"keeplearning@epfl.ch","is_internal":"True","theme":"","vulgarization":{"id":1,"fr_label":"Tout public","en_label":"General public"},"registration":{"id":1,"fr_label":"Sur inscription","en_label":"Registration required"},"keywords":"","file":null,"icalendar_url":"https://memento.epfl.ch/event/export/118551/","category":{"id":15,"code":"FORM","fr_label":"Formations internes","en_label":"Internal trainings","activated":true},"academic_calendar_category":null,"domains":[],"mementos":["https://memento.epfl.ch/api/v1/mementos/145/?format=json","https://memento.epfl.ch/api/v1/mementos/431/?format=json","https://memento.epfl.ch/api/v1/mementos/6/?format=json"]},{"id":70392,"title":"Self-Leadership","slug":"self-leadership-9","event_url":"https://memento.epfl.ch/event/self-leadership-9","visual_url":"https://memento.epfl.ch/image/31851/200x112.jpg","visual_large_url":"https://memento.epfl.ch/image/31851/720x405.jpg","visual_maxsize_url":"https://memento.epfl.ch/image/31851/max-size.jpg","lang":"en","start_date":"2026-06-17","end_date":"2026-06-19","start_time":"09:00:00","end_time":"17:30:00","description":"Le self-leadership est un processus qui permet à une personne d’être plus à l’aise avec qui elle est, et qui l’amène à développer son potentiel et à construire une fondation solide à partir de laquelle toute décision – tant au niveau professionnel que personnel – peut être prise sereinement. Un bon niveau de self-leadership permet de s’épanouir à la fois dans sa propre personnalité et dans ses relations avec les autres, d’atteindre ses objectifs, et finalement, d’être un meilleur leader pour les autres.
\r\n
\r\nComment cet atelier peut vous aider: Les 3 piliers du self-leadership seront approfondis : la conscience de soi, la confiance en soi et la gestion de soi. En parallèle, ce séminaire encourage un espace de réflexion et de partage, dans lequel idées et stratégies sont échangées avec d’autres participant·e·s sur comment faire face et réussir dans des situations professionnelles souvent complexes et difficiles.
\r\n
\r\nJours 1 et 2 : 9h00 - 17h30
\r\nJour 3: 9h00 - 12h30
Self-leadership is the process by which a person becomes more comfortable with who they are and what they want, allowing them to fulfil their potential and build a strong foundation from which to take daily decisions –both professional and personal.
\r\nSelf-leadership enables more effective communication, enhanced fulfilment and more balanced decisions. Both men and women can benefit from learning and practicing self-leadership to improve their professional and personal lives.
\r\n
\r\nHow this workshop will help you:
\r\nWe will explore the topic of self-leadership by addressing self-awareness, self-confidence and self-efficacy. At the same time, this workshop will provide a space where you can exchange ideas and strategies with others on dealing with and succeeding in the situations that you face in your current work environment and your life.
\r\n
\r\nThe format of the workshop is highly interactive and practical, involving case studies, small group work and discussion sessions. Participants will be actively involved in the course, discussing their own life and leadership experiences and self-reflecting in a guided process. The increased awareness and the tools they will discover can be readily used in daily life to enhance their leadership, success and satisfaction.
\r\n
\r\nDay 1+2: from 9.00 am to 5.30 pm
\r\nDay 3: from 9.00 am to 12.30 pm