Invited Talks 2022 of the
Emiritus Group Prof. Scheffler
2022 | 2021 | 2020 | 2019
Talk (63)
2022
Talk
Ambrosch-Draxl, Claudia: How Green Is Our Research?
(Conference, Science at Extreme Scales: Where Big Data Meets Large-Scale Computing, Lake Arrowhead, CA, USA, Dec 2022).
Talk
Carbogno, Christian: Phonons, Electron-Phonon Coupling, Heat and Charge Transport.
(FHI-aims Tutorial Series, Online Event, Mar 2022).
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Carbogno, Christian: Lattice Vibrations and Transport Phenomena in Solids.
(IMPRS Block Course 2022, Elementary Process in Physical Chemistry, Berlin, Germany, Apr 2022).
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Carbogno, Christian: Computational Materials Science Challenges: Towards in Silico Materials’ Design in the Exascale Era.
(International HPC Summer School 2022, Athens, Greece, Jun 2022).
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Carbogno, Christian: Fast and Accurate High-Throughput Thermal Insulator Discovery: A Fully Anharmonic Ab Initio Workflow Accelerated by Machine Learning.
(Psi-k Conference 2022, Lausanne, Switzerland, Aug 2022).
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Carbogno, Christian: Heat and Charge Transport: Past, Present, and Future Developments.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Draxl, Claudia: From Fundamental Physics Research to Novel Materials by Data-Centric Approaches.
(Autumn Meeting 2022, Brazilian Physical Society (EOSBF 22), Sao Paulo, Brazil, Apr 2022).
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Draxl, Claudia: FAIRmat - Making Materials Research Data Findable and AI-Ready.
(20th International Symposium on Nanotechnology (Japan Nano 2022), Online Event, Jan 2022).
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Draxl, Claudia: Similarity of Materials and Data-Quality Assessment by Unsupervised Learning.
(HEIBRiDS Lecture Series, Online Event, Jan 2022).
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Draxl, Claudia: Similarities and Pattern Identification in Materials-Sciene Data.
(Spanish network of AI, Online Event, Jan 2022).
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Draxl, Claudia: Excitations and 2D Quantum Gases in Complex Oxides.
(Seminar, VirtMat, Karlsruhe Institute of Technology (KIT), Online Event, Feb 2022).
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Draxl, Claudia: Excitations in (Not So) Complex Materials: The Dilemma of Choosing the Right Method.
(12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2020), Vancouver, Canada, Jul 2022).
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Draxl, Claudia: Similarities and Pattern Identification in Materials-Science Data.
(Seminars of Spanish Network of AI for Condensed Matter Physics and Materials Science, Online Event, Jan 2022).
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Draxl, Claudia: From Research Islands and Data Silos to a Powerful Data Infrastructure.
(Talk, FAIRmat Tutorial on NOMAD Oasis and FAIR data collaboration and sharing, Online Event, May 2022).
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Draxl, Claudia: From Traditional Physics Research to Data-Centric Approaches: The Role of Fairness.
(Physikalisches Kolloquium, Fakultät für Physik und Astronomie, Julius-Maximilians-Universität Würzburg, Würzburg, Germany, May 2022).
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Draxl, Claudia: A Theorist’s View on Complex Oxides.
(Colloquium of the CRC 1242, Universität Duisburg-Essen, Duisburg, Germany, May 2022).
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Draxl, Claudia: From Theoretical X-Ray Spectroscopy to Data-Quality Assessment.
(SUNCAT Session, Theoretical X-ray Spectroscopy and Activity & Stability of Bimetallic Catalysts, Online Event, Jun 2022).
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Talk
Draxl, Claudia: From Traditional Physics Research to Data-Centric Approaches: The Role of Fairness.
(Seminar, PUNChLunch, PUNCH4NFDI Consortium, Online Event, Jul 2022).
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Draxl, Claudia: From Traditional Physics Research to Data-Centric Approaches: How to Tackle the “I” in Fair.
(Seminar, Automatic-FLOW for Materials Disvovery (AFLOW), Online Event, Jul 2022).
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Draxl, Claudia: Unsupervised Learning for Insight Into High-Throughput Calculations.
(Conference, Science at Extreme Scales: Where Big Data Meets Large-Scale Computing, Lake Arrowhead, CA, USA, Dec 2022).
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Draxl, Claudia: First-Principles Approaches for Exploring Interactions in (X-Ray) Spectroscopy.
(Workshop, Theory Meets XFELs, Hamburg, Germany, Nov 2022).
Talk
Draxl, Claudia: Fairmat - Making Materials Data Findable and AI Ready.
(Seminar, National Institute of Standards and Technology, Online Event, Oct 2022).
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Draxl, Claudia: Opto-Electronic Excitations in TMDC-Based Systems Explored by Many-Body Theory.
(Hybrid Inorganic/Organic Systems for Opto-Electronics Symposium 2022, Berlin, Germany, Oct 2022).
Talk
: AI-Driven Discovery of Transition-Metal Alloy Catalysts for Selective Hydrogenation of Acetylene to Ethylene.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Foppa, Lucas: Materials Genes of Heterogeneous Catalysis From Clean Experiments and Artificial Intelligence.
(8th UK Catalysis Conference (UKCC2022), Loughborough, UK, Jan 2022).
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Foppa, Lucas: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated With Materials Properties.
(Seminar, Cardiff University, Online Event, Feb 2022).
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Foppa, Lucas: Clean Experimental Data for Artificial Intelligence – A Key to Decoding Materials Genes in Heterogeneous Catalysis.
(The 27th North American Catalysis Society Meeting (NAM27), New York, NY, USA, May 2022).
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Foppa, Lucas: Materials Genes of Selective Oxidation From Clean Experiments and Artificial Intelligence.
(Symposium, FUNCAT/Center2Center Meeting, Berlin, Germany, Apr 2022).
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Foppa, Lucas: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated With Materials Properties.
(Machine Learning School for Materials @ ILUM, Online Event, Sep 2022).
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Foppa, Lucas: Identifying Materials Genes of Properties and Functions via Artificial Intelligence.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Foppa, Lucas: Beyond a Single Description in Subgroup Discovery of Exceptional Materials: Coherent Collections of Rules Clustered by Similarity.
(NOMAD Workshop, Data-centric Cruising for New and Novel Materials, Mechanisms, and Insights, Kiel, Germany, Sep 2022).
Talk
Foppa, Lucas: Identifying Materials Genes of Properties and Functions via Artificial Intelligence.
(DPG Meeting of the Condensed Matter Section (SKM) 2022, Regensburg, Germany, Oct 2022).
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Ghiringhelli, Luca M.: FAIRmat: Concept and News.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Ghiringhelli, Luca M.: AI-Ready Materials-Science Fair Data: Methods and Infrastructure.
(Seminar, Science and Technology Facilities Council (STFC), Online Event, Nov 2022).
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Kokott, Sebastian: FHI-Aims: The Ab Initio Materials Simulation Package.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Langer, Marcel Florin: Heat Flux for Machine Learning Potentials.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Leitherer, Andreas: Crystal-Structure Identification via Artificial Intelligence.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Lion, Konstantin: Surface Stability of β-Ga2O3 at Realistic Temperature and Pressure Conditions.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Miyazaki, Ray: AI With Experimental and Theoretical Data Toward the Understanding of CO2 Hydrogenation Catalysis: The Role of the Supporting Materials.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Moerman, Evgeny: An Open-Source Interface to MP2 and Coupled-Cluster Methods for Solids for Localized Basis Set Codes.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Purcell, Thomas: AI Accelerated Workflows for Finding Thermal Insulators.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Purcell, Thomas: Accelerating the High-Throughput Search for New Thermal Insulators With Symbolic Regression.
(Overcoming the Global Energy Crisis by Materials Research Regional Series III, Georgia Institute of Technology, Atlanta, GA, USA, Oct 2022).
Talk
: Electronic-Transport Theory: Challenges and Solutions.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Rivera Arrieta, Herzain Isaac: A Data-Centric Approach for Uncovering Subgroups of Active Metal Catalysts Toward CO2 Activation.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Rossi, Mariana: Recent Research Highlights from the Sabia Group.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
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Rossi, Mariana: Quantum Mechanics for Electrons and Nuclei to Larger Scales.
(Theoretical and Physical Chemistry Seminar, University of Basel, Basel, Switzerland, Nov 2022).
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Rossi, Mariana: Bringing Quantum Mechanics for Electrons and Nuclei to Larger Scales.
(Theoretical Chemistry Seminar, University of Cambridge, Cambridge, UK, Nov 2022).
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Scheffler, Matthias: Making the Data Revolution Happen.
(Lecture, National Academy of Sciences, Online Event, Jan 2022).
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Scheffler, Matthias: Making the Data Revolution Happen.
(Joint FAIRmat and FHI-aims Tutorial and ICTP Workshop at East African Institute for Fundamental Research, Online Event, Feb 2022).
Talk
Scheffler, Matthias: Electron-Vibrational Coupling in and Beyond the Phonon Picture.
(APS March Meeting 2022, Online Event, Mar 2022).
Talk
Scheffler, Matthias: Learning Rules for Materials Properties and Functions by Artificial Intelligence.
(Workshop, Machine Learning in Electronic Structure and Molecular Dynamics, International Centre for Theoretical Physics (ICTP), Trieste, Italy, May 2022).
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Scheffler, Matthias: Software Solutions to the Challenges of Materials Modelling: The NOMAD Artificial Intelligence Toolkit.
(Workshop of The Royal Society, Northampton, UK, Jun 2022).
Talk
Scheffler, Matthias: The NOMAD Center of Excellence.
(NOMAD-Industry Workshop 2022, Berlin, Germany, Jun 2022).
Talk
Scheffler, Matthias: Learning Rules for Materials Properties and Functions by Artificial Intelligence.
(Workshop, Machine Learning in Electronic Structure and Molecular Dynamics, Abdus Salam International Centre for Theoretical Physics (ICTP), Online Event, May 2022).
Talk
Scheffler, Matthias: Welcome Address and Concluding Remarks.
(Conference on a Fair Data Infrastructure for Materials Genomics, Online Event, Jul 2022).
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Scheffler, Matthias: Welcome and Overview.
(NOMAD-ECAM-IRIS-Pritzker Workshop and Hands-on Tutorial 2022, Berlin, Jul 2022).
Talk
Scheffler, Matthias: Finding Structure in Data, Identifying Maps of Materials Properties, and Detecting the “Materials Genes.”
(NOMAD-ECAM-IRIS-Pritzker Workshop and Hands-on Tutorial 2022, Berlin, Jul 2022).
Talk
Scheffler, Matthias: New and Novel Materials, Mechanisms, and Insights.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Scheffler, Matthias: Materials Genes (Atomic-level Characterization) of Materials Properties and Functions.
(14th International Symposium on Atomic Level Characterizations for New Materials and Devices, ALC '22, Okinawa, Japan, Oct 2022).
Talk
Scheffler, Matthias: Data-Centric Research in the Natural Sciences.
(Berlin Science Week and Falling Walls 2023, Workshop of the Berlin-Brandenburg Academy of Sciences and Humanities, Berlin, Germany, Nov 2022).
Talk
Speckhard, Daniel: Extrapolation to Complete Basis-Set Limit in Density-Functional Theory by Quantile Random-Forest Models.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).
Talk
Zhou, Yuanyuan: Ab Initio Description of Surface Restructuring and Phase Boundary Under Realistic Conditions.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).