Invited Talks 2021 of the
Emiritus Group Prof. Scheffler
2022 | 2021 | 2020 | 2019
Talk (72)
2021
Talk
Carbogno, Christian: The Role of Anharmonic Effects for Temperature-Dependent Electronic Structures.
(GraFOx 4th Semi-Annual Meeting, Online Event, May 2021).
Talk
Carbogno, Christian: Phonon-Phonon and Electron-Phonon Interactions: From Fundamental Developments Towards Predictions.
(Seminar, GraFOx, Online Event, Oct 2021).
Talk
Carbogno, Christian: Precise yet Fast High-Throughput Search for Thermal Insulators.
(Duke-CAMD/MURI/AFLOW Seminar, Center for Autonomous Materials Design, Duke University, Online Event, Aug 2021).
Talk
Carbogno, Christian: 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, Jun 2021).
Talk
Carbogno, Christian: Where Are We Now? And Where Do We Need to Go? Capturing Anharmonic Vibrational Motion.
(CECAM Workshop, Capturing Anharmonic Vibrational Motion in First-Principles Simulations, Online Event, Dec 2021).
Talk
Carbogno, Christian: High-Throughput Ab Initio Green-Kubo Simulations for Thermal Insulator Discovery High-Throughput Workflows for Materials Science With ASE and Fireworks.
(Seminar, Department of Physics, Technical University of Denmark, Lyngby, Denmark, Nov 2021).
Talk
Draxl, Claudia: Recycle the Waste!
(APE 2021, Academic Publishing in Europe Nr. 16, Online Event, Jan 2021).
Talk
Draxl, Claudia: Theoretical Toolbox for the Characterization of Organic-Inorganic Interfaces.
(Virtual Microscopy Characterisation of Organic-Inorganic Interfaces 2021, Online Event, Mar 2021).
Talk
Draxl, Claudia: New Horizons for Materials Research.
(APS March Meeting 2021, Online Event, Mar 2021).
Talk
Draxl, Claudia: 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, Oct 2021).
Talk
Draxl, Claudia: From FAIR Data to Knowledge and Novel Materials.
(Conference, Physics For Society: Grand Challenges In The Horizon 2050, European Physical Society (EPS), Berlin, Germany, Oct 2021).
Talk
Draxl, Claudia: Excitations in Complex Oxides.
(25. Deutsche Physikerinnentagung, Online Event, Nov 2021).
Talk
Draxl, Claudia: Quantum-Based Materials Modeling and Artificial Intelligence for Tackling Societal Challenges.
(Lise-Meitner-Lectures 2021, Deutsche Physikalische Gesellschaft (DPG), Berlin, Germany, Nov 2021).
Talk
Draxl, Claudia: Exciting NEWS.
(IX Workshop on Novel Methods for Electronic Structure Calculations, Online Event, Nov 2021).
Talk
Draxl, Claudia: FAIRmat’s Approach to FAIRness.
(Workshop, HPC and Data Science for Scientific Discovery, Lake Arrowhead, CA, USA, Dec 2021).
Talk
Draxl, Claudia: Similarity of Materials and Data-Quality Assessment by Unsupervised Learning.
(2021 MRS Fall Meeting & Exhibit, Online Event, Dec 2021).
Talk
Draxl, Claudia: Many-Body Approaches for Excitations in Solids - Current Limitations and Perspectives Towards Exascale Performance.
(2021 MRS Fall Meeting & Exhibit, Online Event, Dec 2021).
Talk
Draxl, Claudia: A Quantum Puzzle.
(Kick-off Meeting, Max Planck Graduate Center for Quantum Materials, Online Event, Nov 2021).
Talk
Draxl, Claudia: Excitations in Complex Oxides.
(Colloquium, University College London, London, UK, Nov 2021).
Talk
Draxl, Claudia: Data-Centric Materials Science: Challenges in (Theoretical) Spectroscopy.
(Workshop, Materials Science and Chemistry, Berlin-Brandenburgische Akademie der Wissenschaften, Berlin, Germany, Nov 2021).
Talk
Draxl, Claudia: Basics of Density-Functional Theory.
(Psi-k GreenALM Hands-on Tutorial 2021, Online Event, Oct 2021).
Talk
Draxl, Claudia: From Physics and Maths to Data and Back.
(Symposium on the occasion of Walter Pötz’s retirement, Graz, Austria, Sep 2021).
Talk
Draxl, Claudia: Quantum-Based Materials Modeling and Artificial Intelligence for Tackling Societal Challenges.
(Lise-Meitner-Lectures 2021, Austrian Physical Society (ÖPG), Online Event, Sep 2021).
Talk
Draxl, Claudia: 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, Sep 2021).
Talk
Draxl, Claudia: FAIR Data and Artificial Intelligence Towards New Horizons in Materials Research.
(European Congress and Exhibition on advanced Materials and Processes, EUROMAT 2021, Online Event, Sep 2021).
Talk
Draxl, Claudia: A Theorist’s Perspective on Electron-Loss Spectroscopy.
(Joint Meeting, JEELS 2020 : 12es Journées EELS and Arbeitskreistreffen Energiefilterung und EELS, Münster, Germany, Aug 2021).
Talk
Draxl, Claudia: Excitations in Solids: Theoretical Approaches, Benchmarks, Limitations, and Perspectives Towards Exascale Performance.
(XXXIII UPAP Conference on Computational Physics (CCP21), Online Event, Aug 2021).
Talk
Draxl, Claudia: FAIRmat’s Approach to Data-Centric Science.
(SHU - MGI - FAIR-DI Workshop on FAIR-Data-Driven Materials Research, Online Event, Jun 2021).
Talk
Draxl, Claudia: From Data to Knowledge.
(Workshop, Computer-Aided Materials Discover, Materials Square, Online Event, Mar 2021).
Talk
Draxl, Claudia: From Data to Knowledge.
(Seminar, FunMat-II AI and machine learning for materials design, Online Event, Mar 2021).
Talk
Draxl, Claudia: From Physics Today to Publishing and Research of Tomorrow.
(Colloquium, Christian-Albrechts-Universität zu Kiel, Online Event, Apr 2021).
Talk
Draxl, Claudia: 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, Apr 2021).
Talk
Draxl, Claudia: Theoretical Spectroscopy From the UV to the Hard X-Ray Region - Example of Ga2O3.
(2021 MRS Spring Meeting & Exhibit, Online Event, Apr 2021).
Talk
Draxl, Claudia: From Data to Knowledge.
(Meeting, Mixed-gen Session 4: Data Driven Science, CECAM-HQ, Online Event, Apr 2021).
Talk
Draxl, Claudia: From Raw Data to Material Maps.
(Nature Research Round Table – Materials Genome Engineering and its Application in Energy Materials, Online Event, Mar 2021).
Talk
Draxl, Claudia: FAIRmat - Making Materials Data Findable and AI Ready.
(Fall Meeting 2021, Deutsche Physikalische Gesellschaft (DPG), Online Event, Oct 2021).
Talk
Foppa, Lucas: 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, Dec 2021).
Talk
Ghiringhelli, Luca M.: Clusters and Surfaces in Reactive Atmospheres at Realistic Conditions: Beyond the Static, Monostructure Description.
(APS March Meeting 2021, Online Event, Mar 2021).
Talk
Ghiringhelli, Luca M.: Ontologies in Computational Materials Science: The NOMAD Experience.
(Workshop, Ontologies for Materials-Databases Interoperability (OMDI2021), Online Event, Oct 2021).
Talk
Ghiringhelli, Luca M.: Symbolic Inference for Small-Data-Driven Materials Science.
(Workshop, Computational Spintronics Group, Trinity College Dublin, Dublin, Ireland, Aug 2021).
Talk
Ghiringhelli, Luca M.: Symbolic Inference in Materials Science: Towards Human-Friendly Artificial Intelligence.
(Physics Colloquium online, Theoretical Chemical Physics group, University of Luxembourg, Online Event, May 2021).
Talk
Ghiringhelli, Luca M.: Compressed Sensing Meets Symbolic Regression: Learning Interpretable Models.
(BIG DATA SUMMER – A summer school of the BiGmax Network, Online Event, Sep 2021).
Talk
Ghiringhelli, Luca M.: NOMAD Metainfo: FAIR (Meta)data for Materials Science.
(Workshop, Research-Data Management in Biophysics, European Biophysics Conference 2021, Online Event, Jul 2021).
Talk
Ghiringhelli, Luca M.: Data-Driven Materials Maps: Symbolic Inference Applied to Heterogeneous Catalysis.
(ACS Fall Meeting 2021, Online Event, Aug 2021).
Talk
Ghiringhelli, Luca M.: Towards Small-Data-Driven Materials Science.
(Autumn Meeting, EOSBF 2021, Brasilian Physical Society, Online Event, Jun 2021).
Talk
Ghiringhelli, Luca M.: FAIR Data and Metadata: The NOMAD Experience.
(Workshop, Research Data Management, Guidelines, and Standards, BATTERY 2030+, Online Event, Mar 2021).
Talk
Ghiringhelli, Luca M.: Bridging Scales With Symbolic Inference: The Case of Heterogeneous Catalysis.
(Symposium, Machine Learning: application to Chemical Reactions, Thomas Young Centre (TYC), Online Event, Feb 2021).
Talk
Ghiringhelli, Luca M.: Bridging Scales With Symbolic Inference: The Case of Heterogeneous Catalysis.
(Seminar, NOMAD Laboratory & MA Group, Online Event, Jan 2021).
Talk
Ghiringhelli, Luca M.: Towards Small-Data-Driven Materials Science.
(2021 MRS Spring Meeting & Exhibit, Online Event, Apr 2021).
Talk
Ghiringhelli, Luca M.: Ontologies in Computational Materials Science: The NOMAD Experience.
(3rd EMMC International Workshop (EMMC 2021), Online Event, Mar 2021).
Talk
Levchenko, Sergey 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, Feb 2021).
Talk
Levchenko, Sergey V.: Using the Data-Mining Approach Subgroup Discovery for Understanding Mechanisms of Catalytic Reactions.
(FHI Theory Department ML Journal Club, Online Event, Feb 2021).
Talk
Levchenko, Sergey V.: Single-Atom Alloy Catalysts Designed by First-Principles Calculations and Artificial Intelligence.
(Electronic Materials and Applications 2021, Online Event, Jan 2021).
Talk
Levchenko, Sergey V.: Modelling Materials at Realistic Temperatures and Pressures.
(VI International Conference of Young Scientists 2021, Moscow, Russia, Nov 2021).
Talk
Levchenko, Sergey V.: Computational Design of Materials for Heterogeneous Catalysis.
(20th Workshop on Crystal Structure Prediction With USPEX Code (20th Lyakhov school), Online Event, Nov 2021).
Talk
Levchenko, Sergey V.: Deriving Descriptors and Physical Understanding From Data in Catalysis Research.
(2021 AIChE Annual Meeting, Online Event, Nov 2021).
Talk
Maksimov, Dmitrii: Conformation Prediction for Flexible Molecules at Surfaces Using Ab Initio Random Structure Search.
(CRC 951 - HIOS Young Researcher Workshop 2021, Online Event, Oct 2021).
Talk
Purcell, Thomas: Machine-Learning Aided Approaches.
(Workshop, Capturing Anharmonic Vibrational Motion in First-Principles Simulations, Centre Européen de Calcul Atomique et Moléculaire (CECAM), Online Event, Dec 2021).
Talk
Sarker, Debalaya: Autonomous Computational Discovery of Catalysts and Energy Materials.
(Seminar, Raja Ramanna Center for Advanced Technology, Online Event, Feb 2021).
Talk
Scheffler, Matthias: Subgroup Discovery, Rare-Phenomena Challenge, and Domain of Applicability.
(Lecture, Big Data and Artificial Intelligence in Materials Sciences, Online Event, Jan 2021).
Talk
Scheffler, Matthias: The NOMAD Laboratory at the FHI of the Max Planck Society.
(Symposium, Max Planck Graduate Center for Quantum Materials, Stuttgart, Germany, Feb 2021).
Talk
Scheffler, Matthias: FAIRMAT – A Proposed Consortium of the German Research-Data Infrastructure.
(Spring Meeting, Deutsche Physikalische Gesellschaft (DPG), Online Event, Mar 2021).
Talk
Scheffler, Matthias: Artificial Intelligence, Towards Materials Maps.
(2021 MRS Spring Meeting & Exhibit, Online Event, Apr 2021).
Talk
Scheffler, Matthias: Big Data and Statistically Exceptional Materials.
(International Conference, Materials for Humanity (MH 21), Materials Research Society Singapore (MRS), Online Event, Jul 2021).
Talk
Scheffler, Matthias: Properties of Materials From First Principles.
(Virtual hands-on tutorial, FHI-aims, Online Event, Aug 2021).
Talk
Scheffler, Matthias: Open Data in Naturwissenschaften und Mathematik: Das FAIRmat Konsortium.
(Lecture, Berlin-Brandenburgische Akademie der Wissenschaften (BBAW), Online Event, Oct 2021).
Talk
Scheffler, Matthias: 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, Oct 2021).
Talk
Scheffler, Matthias: Big Data and Statistically Exceptional Materials.
(Symposium, Villum Project Kristian Sommer Thygesen, Copenhagen, Denmark, Nov 2021).
Talk
Scheffler, Matthias: 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, Nov 2021).
Talk
Scheffler, Matthias: Learning Rules for Materials Properties and Functions by Artificial Intelligence.
(2021 MRS Fall Meeting & Exhibit, Online Event, Dec 2021).
Talk
Scheffler, Matthias: Big-Data Driven Materials Science.
(Symposium, Aktuelle Methoden der physikalischen Forschung, Technische Universität Berlin, Online Event, Feb 2021).
Talk
Scheffler, Matthias: Learning Rules for Materials Properties and Functions and Creating Materials Maps.
(International Workshop on Computer-Aided Materials Discovery, Online Event, Jun 2021).