Dans notre monde en constante évolution, le changement constitue l’une des seules constantes, qu’il s’agisse du changement au niveau de l’individu, de l’équipe ou de l’organisation dans son ensemble. Cet atelier vous fournit des outils et des techniques pour naviguer et diriger efficacement vos partenaires à travers le processus de changement, tout en soutenant la transformation organisationnelle.
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\r\nA la fin de cet atelier, vous serez en mesure de :\r\n
Le stress et l’anxiété font aujourd’hui partie intégrante du quotidien, d’autant plus dans un cadre professionnel. Pression de performance, surcharge d’informations, incertitudes et distractions digitales, nous affectent toutes et tous. Lorsqu’ils deviennent chroniques, ces états impactent la santé mentale, le sommeil, la concentration, la motivation, les relations sociales et la qualité du travail.
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\r\nComprendre ces mécanismes, apprendre à les réguler, et surtout identifier ses propres déclencheurs et ressources devient alors essentiel pour évoluer dans un cadre professionnel et promouvoir un travail stable et une qualité de vie plus saine.
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\r\nCette formation vise à renforcer votre résilience, vous permettre d’identifier vos déclencheurs personnels, et d’activer des ressources internes et externes pour retrouver calme, clarté mentale et stabilité au quotidien.
European Framework Programs for Research and Innovation.
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\r\nIs your laboratory involved in one or several European projects, and is one of your responsibilities to ensure their effective administrative, financial, and human‑resources management? If so, it is important to take the time to become familiar with the structure of these projects and with the specific management rules that apply to them.
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\r\nThis training course will guide you through the contractual documents and their relevant content for project management. Administrative, financial, and HR management rules will be presented and discussed using practical case studies.
\r\nThe training will also help participants become familiar with the European portal and the SEFRI reporting platform.
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\r\nIt is recommended to attend this training as early as possible, ideally at the start of the project.
Programmes-cadres européens de la recherche et de l’innovation.
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\r\nVotre laboratoire participe à un ou plusieurs projets européens et une de vos missions est d’en assurer une gestion efficace au niveaux administratif, financier et celui des ressources humaines ? Pour cela, il est important de prendre le temps de vous familiariser avec la structure de ces projets et avec certaines règles de gestion qui leurs sont spécifiques.
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\r\nCette formation vous propose de prendre connaissance des documents contractuels et de leur contenu qui est utile pour votre gestion. Les règles de gestion administrative, financière et RH seront présentées et discutées en se basant sur des cas pratiques.
\r\nLa formation permettra aussi aux participants de se familiariser avec le portail européen et la plateforme de reporting du SEFRI.
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\r\nIl est recommandé de suivre cette formation le plus tôt possible, idéalement vers le commencement du projet.
Programmes-cadres européens de la recherche et de l’innovation.
\r\n
\r\nVotre laboratoire participe à un ou plusieurs projets européens et une de vos missions est d’en assurer une gestion efficace au niveaux administratif, financier et celui des ressources humaines ? Pour cela, il est important de prendre le temps de vous familiariser avec la structure de ces projets et avec certaines règles de gestion qui leurs sont spécifiques.
\r\n
\r\nCette formation vous propose de prendre connaissance des documents contractuels et de leur contenu qui est utile pour votre gestion. Les règles de gestion administrative, financière et RH seront présentées et discutées en se basant sur des cas pratiques.
\r\nLa formation permettra aussi aux participants de se familiariser avec le portail européen et la plateforme de reporting du SEFRI.
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\r\nIl est recommandé de suivre cette formation le plus tôt possible, idéalement vers le commencement du projet.
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.
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\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.
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\r\nDescription
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\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.
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\r\nReferences
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\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 discover the new rover prototype of the EPFL Xplore team at SPOT
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