Invited Talks 2021 of the
Emiritus Group NOMAD

2022 | 2021 | 2020 | 2019

Talk (69)

2021
Talk
Carbogno, C.: The Role of Anharmonic Effects for Temperature-Dependent Electronic Structures. GraFOx 4th Semi-Annual Meeting, Online Event (2021)
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Carbogno, C.: Phonon-Phonon and Electron-Phonon Interactions: From Fundamental Developments Towards Predictions. Seminar, GraFOx, Online Event (2021)
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Carbogno, C.: Precise yet Fast High-Throughput Search for Thermal Insulators. Duke-CAMD/MURI/AFLOW Seminar, Center for Autonomous Materials Design, Duke University, Online Event (2021)
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Carbogno, C.: The Key Role of Lattice Anharmonicity for Heat and Charge Transport in Solids: Fundamental Concepts, Novel Methods, and Relevant Applications. Seminar, Theory Department, Fritz Haber Institute, Online Event (2021)
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Draxl, C.: Recylce the Waste! APE 2021, Academic Publishing in Europe Nr. 16, Online Event (2021)
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Draxl, C.: Theoretical Toolbox for the Characterization of Organic-Inorganic Interfaces. Virtual Microscopy Characterisation of Organic-Inorganic Interfaces 2021, Online Event (2021)
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Draxl, C.: New Horizons for Materials Research. APS March Meeting 2021, Online Event (2021)
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Draxl, C.: Electronic Structure of Complex Materials: The Dilemma of Choosing the Right Method. 734. WE-Heraeus-Seminar, Photoemission Tomography: Applications and Future Developments, Bad Honnef, Germany (2021)
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Draxl, C.: From FAIR Data to Knowledge and Novel Materials. Conference, Physics For Society: Grand Challanges In The Horizon 2050, European Physical Society (EPS), Berlin, Germany (2021)
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Draxl, C.: Excitations in Complex Oxides. 25. Deutsche Physikerinnentagung, Online Event (2021)
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Draxl, C.: Quantum-Based Materials Modeling and Artificial Intelligence for Tackling Societal Challenges. Lise-Meitner-Lectures 2021, Deutsche Physikalische Gesellschaft (DPG), Berlin, Germany (2021)
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Draxl, C.: Exciting NEWS. IX Workshop on Novel Methods for Electronic Structure Calculations, Online Event (2021)
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Draxl, C.: FAIRmat’s Approach to FAIRness. Workshop, HPC and Data Science for Scientific Discovery, Lake Arrowhead, CA, USA (2021)
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Draxl, C.: Similarity of Materials and Data-Quality Assessment by Unsupervised Learning. 2021 MRS Fall Meeting & Exhibit, Online Event (2021)
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Draxl, C.: Many-Body Approaches for Excitations in Solids - Current Limitations and Perspectives Towards Exascale Performance. 2021 MRS Fall Meeting & Exhibit, Online Event (2021)
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Draxl, C.: A Quantum Puzzle. Kick-off Meeting, Max Planck Graduate Center for Quantum Materials, Online Event (2021)
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Draxl, C.: Excitations in Complex Oxides. Colloquium, University College London, London, UK (2021)
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Draxl, C.: Data-Centric Materials Science: Challenges in (Theoretical) Spectroscopy. Workshop, Materials Science and Chemistry, Berlin-Brandenburgische Akademie der Wissenschaften, Berlin, Germany (2021)
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Draxl, C.: Basics of Density-Functional Theory. Psi-k GreenALM Hands-on Tutorial 2021, Online Event (2021)
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Draxl, C.: From Physics and Maths to Data and Back. Symposium on the occasion of Walter Pötz’s retirement, Graz, Austria (2021)
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Draxl, C.: Quantum-Based Materials Modeling and Artificial Intelligence for Tackling Societal Challenges. Lise-Meitner-Lectures 2021, Österreichische Physikalische Gesellschaft (ÖPG), Online Event (2021)
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Draxl, C.: From Data Mining to Knowledge: Refining a Precious Raw Material of the 21st Century. International Symposium on Nanoscale Research, Institute of Physics, Montanuniversität Leoben, Leoben, Austria (2021)
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Draxl, C.: FAIR Data and Artificial Intelligence Towards New Horizons in Materials Research. European Congress and Exhibition on advanced Materials and Processes, EUROMAT 2021, Online Event (2021)
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Draxl, C.: A Theorist’s Perspective on Electron-Loss Spectroscopy. Joint Meeting, JEELS 2020 : 12es Journées EELS and Arbeitskreistreffen Energiefilterung und EELS, Münster, Germany (2021)
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Draxl, C.: Excitations in Solids: Theoretical Approaches, Benchmarks, Limitations, and Perspectives Towards Exascale Performance. XXXIII UPAP Conference on Computational Physics (CCP21), Online Event (2021)
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Draxl, C.: FAIRmat’s Approach to Data-Centric Science. SHU - MGI - FAIR-DI Workshop on FAIR-Data-Driven Materials Research, Online Event (2021)
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Draxl, C.: From Data to Knowledge. Workshop, Computer-Aided Materials Discover, Materials Square, Online Event (2021)
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Draxl, C.: From Data to Knowledge. Seminar, FunMat-II AI and machine learning for materials design, Online Event (2021)
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Draxl, C.: From Physics Today to Publishing and Research of Tomorrow. Colloquium, Christian-Albrechts-Universität zu Kiel, Online Event (2021)
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Draxl, C.: Partial Order-Disorder Transition in Thermoelectric Clathrates Revealed by a Novel Approach for Temperature-Dependent Properties of Alloys. 2021 MRS Spring Meeting & Exhibit, Online Event (2021)
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Draxl, C.: Theoretical Spectroscopy From the UV to the Hard X-Ray Region - Example of Ga2O3. 2021 MRS Spring Meeting & Exhibit, Online Event (2021)
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Draxl, C.: From Data to Knowldege. Meeting, Mixed-gen Session 4: Data Driven Science, CECAM-HQ, Online Event (2021)
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Draxl, C.: From Raw Data to Material Maps. Nature Research Round Table – Materials Genome Engineering and its Application in Energy Materials, Online Event (2021)
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Draxl, C.: FAIRmat – Making Materials Data Findable and AI Ready. Fall Meeting 2021, Deutsche Physikalische Gesellschaft (DPG), Online Event (2021)
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Foppa, L.: Identifying the Materials Genes of Heterogeneous Catalysis With Clean Experiments and Tailored Artificial Intelligence. Colloquium, ETH Zurich, Department of Chemistry and Applied Biosciences, Online Event (2021)
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Foppa, L.: Materials Genes of Selective Oxidation From Clean Experiments and Artificial Intelligence. Symposium, FUNCAT/ Center2Center Meeting, Berlin, Germany (2021)
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Ghiringhelli, L. M.: Clusters and Surfaces in Reactive Atmospheres at Realistic Conditions: Beyond the Static, Monostructure Description. APS March Meeting 2021, Online Event (2021)
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Ghiringhelli, L. M.: Ontologies in Computational Materials Science: The NOMAD Experience. Workshop, Ontologies for Materials-Databases Interoperability (OMDI2021), Online Event (2021)
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Ghiringhelli, L. M.: Symbolic Inference for Small-Data-Driven Materials Science. Workshop, Computational Spintronics Group, Trinity College Dublin, Dublin, Ireland (2021)
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Ghiringhelli, L. M.: Symbolic Inference in Materials Science: Towards Human-Friendly Artificial Intelligence. Physics Colloquium online, Theoretical Chemical Physics group, University of Luxembourg, Online Event (2021)
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Ghiringhelli, L. M.: Compressed Sensing Meets Symbolic Regression: Learning Interpretable Models. BIG DATA SUMMER – A summer school of the BiGmax Network, Online Event (2021)
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Ghiringhelli, L. M.: NOMAD Metainfo: FAIR (Meta)data for Materials Science. Workshop, Research-Data Management in Biophysics, European Biophysics Conference 2021, Online Event (2021)
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Ghiringhelli, L. M.: Data-Driven Materials Maps: Symbolic Inference Applied to Heterogeneous Catalysis. ACS Fall Meeting 2021, Online Event (2021)
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Ghiringhelli, L. M.: Towards Small-Data-Driven Materials Science. Autumn Meeting, EOSBF 2021, Brasilian Physical Society, Online Event (2021)
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Ghiringhelli, L. M.: FAIR Data and Metadata: The NOMAD Experience. Workshop, Research Data Management, Guidelines, and Standards, BATTERY 2030+, Online Event (2021)
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Ghiringhelli, L. M.: Bridging Scales With Symbolic Inference: The Case of Heterogeneous Catalysis. Symposium, Machine Learning: application to Chemical Reactions, Thomas Young Centre (TYC), Online Event (2021)
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Ghiringhelli, L. M.: Bridging Scales With Symbolic Inference: The Case of Heterogeneous Catalysis. Seminar, NOMAD Laboratory & MA Group, Online Event (2021)
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Ghiringhelli, L. M.: Towards Small-Data-Driven Materials Science. 2021 MRS Spring Meeting & Exhibit, Online Event (2021)
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Ghiringhelli, L. M.: Ontologies in Computational Materials Science: The NOMAD Experience. 3rd EMMC International Workshop (EMMC 2021), Online Event (2021)
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Levchenko, S. V.: Single-Atom Alloy Catalysts Designed by First-Principles Calculations and Artificial Intelligence. CECAM/Psi-k Flagship Workshop, Materials Design for Energy Storage and Conversion: Theory and Experiment, Online Event (2021)
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Levchenko, S. V.: Using the Data-Mining Approach Subgroup Discovery for Understanding Mechanisms of Catalytic Reactions. FHI Theory Department ML Journal Club, Online Event (2021)
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Levchenko, S. V.: Single-Atom Alloy Catalysts Designed by First-Principles Calculations and Artificial Intelligence. Electronic Materials and Applications 2021, Online Event (2021)
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Levchenko, S. V.: Modelling Materials at Realistic Temperatures and Pressures. VI International Conference of Young Scientists 2021, Moscow, Russia (2021)
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Levchenko, S. V.: Computational Design of Materials for Heterogeneous Catalysis. 20th Workshop on Crystal Structure Prediction With USPEX Code (20th Lyakhov school), Online Event (2021)
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Levchenko, S. V.: Deriving Descriptors and Physical Understanding From Data in Catalysis Research. 2021 AIChE Annual Meeting, Online Event (2021)
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Maksimov, D.: Conformation Prediction for Flexible Molecules at Surfaces Using Ab Initio Random Structure Search. CRC 951 - HIOS Young Researcher Workshop 2021, Online Event (2021)
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Purcell, T.: Machine-Learning Aided Approaches. Workshop, Capturing Anharmonic Vibrational Motion in First-Principles Simulations, Centre Européen de Calcul Atomique et Moléculaire (CECAM), Online Event (2021)
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Sarker, D.: Autonomous Computational Discovery of Catalysts and Energy Materials. Seminar, Raja Ramanna Center for Advanced Technology, Online Event (2021)
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Scheffler, M.: Subgroup Discovery, Rare-Phenomena Challenge, and Domain of Applicability. Lecture, Big Data and Artificial Intelligence in Materials Sciences, Online Event (2021)
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Scheffler, M.: The NOMAD Laboratory at the FHI of the Max Planck Society. Symposium, Max Planck Graduate Center for Quantum Materials, Stuttgart, Germany (2021)
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Scheffler, M.: FAIRMAT – A Proposed Consortium of the German Research-Data Infrastructure. Spring Meeting, Deutsche Physikalische Gesellschaft (DPG), Online Event (2021)
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Scheffler, M.: Artificial Intelligence, Towards Materials Maps. 2021 MRS Spring Meeting & Exhibit, Online Event (2021)
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Scheffler, M.: Big Data and Statistically Exceptional Materials. International Conference, Materials for Humanity (MH 21), Materials Research Society Singapore (MRS), Online Event (2021)
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Scheffler, M.: Properties of Materials From First Principles. Virtual hands-on tutorial, FHI-aims, Online Event (2021)
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Scheffler, M.: Open Data in Naturwissenschaften und Mathematik: Das FAIRmat Konsortium. Lecture, Berlin-Brandenburgische Akademie der Wissenschaften (BBAW), Online Event (2021)
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Scheffler, M.: Paradigm Shift by Data-Centric Materials Science Jointly Steered With and Enabled by MPCDF. Symposium, 60th Anniversary of RZG/MPCDF (Max-Planck Computing and Data Facility), Garching, Germany (2021)
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Scheffler, M.: Big Data and Statistically Exceptional Materials. Symposium, Villum Project Kristian Sommer Thygesen, Copenhagen, Denmark (2021)
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Scheffler, M.: Artificial Intelligence for Surface Science and Heterogeneous Catalysis: Learning Rules and Creating Maps of Materials Properties. The 9th International Symposium on Surface Science (ISSS-9), Online Event (2021)
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Scheffler, M.: Learning Rules for Materials Properties and Functions by Artificial Intelligence. 2021 MRS Fall Meeting & Exhibit, Online Event (2021)
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