Selected talks and publications
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Claudia Draxl
How big is Big Data?
Invited Talk, Chemical Sciences Farady Discussion, Oxford, September 10-12, 2024
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Claudia Draxl
FAIR data towards new insights into materials
Plenary Talk, XXth Rencontres du Vietnam on Materials Informatics, August 23-25, 2024
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Claudia Draxl
FAIR data for accelerated materials discovery: The NOMAD project
Invited Talk, CIMTEC, Montecatini Therme, Italy, June 20-04, 2024
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Min-Ye Zhang
All-electron Periodic GW Method with Numeric Atom-centered Orbitals: Systematic Benchmark and Application to Temperature-dependent Band Structure [abstract]
Contributed talk, Deutsche Physikalische Gesellschaft (DPG), Berlin, Germany, March 22, 2024
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Claudia Draxl
From research data to data-centric research [video]
Invited Talk, Friedrich-Alexander-Universität Erlangen-Nürnberg, 2024
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Claudia Draxl
Tackling the interplay between competing interactions in complex materials [abstract]
Invited talk, APS March Meeting, Minneapolis, March 7, 2024
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Markus Rampp
The reach of exascale architectures across the physical sciences [abstract]
Invited talk, APS March Meeting, Minneapolis, March 5, 2024
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Matthias Scheffler
Electrical Conductivity and Carrier Mobility for Strongly Anharmonic Materials from First Principles [abstract]
Invited talk, APS March Meeting, Minneapolis, March 4, 2024
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Thomas Purcell
Recent Advancements in SISSO as Applied to Thermal Conductivity [abstract]
Invited talk, APS March Meeting, Minneapolis, March 4, 2024
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Matthias Scheffler
Periodic coupled-cluster theory for the ground and excited states with atom-centered basis functions [abstract]
Invited talk, APS March Meeting, Minneapolis, March 4, 2024
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Lucas Foppa
Towards a Multi-Objective Optimization of Subgroups for the Discovery of Materials with Exceptional Performance [abstract]
, APS March Meeting, Minneapolis, March 4, 2024
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Gian-Marco Rignanese
OPTIMADE: A Common REST API for Materials Databases Interoperability
Invited talk, BIG-MAP EUnified Battery Data Space Workshop, Grindelwald (Switzerland), 29-31 Jan 2024
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Xavier Gonze
Fröhlich-type polaron models from first-principles : renormalization of electronic energies and high-throughput analysis
Invited talk, Workshop on Computational Physics and Materials Science "Total Energy and Force Methods 2024", Shanghai, China , Jan 8-10, 2024
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Gian-Marco Rignanese
Combining the Power of High-Throughput Ab Initio Calculations and Machine Learning towards Materials Informatics
Invited talk, 1st Workshop on Advanced Materials Frontiers, Grenoble (France), Nov 26-29 2023.
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Markus Scheidgen
FAIR research data management for materials science with NOMAD
Invited Talk, TKFDM Coffee Lecture Serie, June 28, 2023
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Jose Julio Gutiérrez Moreno
Atomic-level bottom-up design of materials for green H2 production
Invited talk, Solar2Chem Conference, Tarragona, Spain, Sep 20, 2023
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Kristian Sommer Thygesen
Data-driven discovery of two-dimensional materials and point defects
Invited talk, Workshop on Spectroscopy and Machine Learning at Les Houches School of Physics, Les Houches, France, Oct. 31- Nov. 10, 2023
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Kristian Sommer Thygesen
Computing the properties of all known inorganic crystals
Invited talk, The Danish e-Infrastructure Conference, Kolding, Denmark, Nov. 7-8, 2023
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Lucas Foppa
Identifying Rules and Materials Genes of Properties and Functions via AI
Invited talk, IOP-FHI Workshop on the Frontiers of Electronic Structure Theory and Materials Genomics, Beijing, China, Oct, 2023
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Kristian Sommer Thygesen
TaskBlaster: An open Python framework for FAIR and scalable workflows
Invited talk, Workshop: Twistronics of 2D Materials, Manchester, UK, Sep. 20-22, 2023
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Claudia Draxl
Electronic-Structure Theory and Materials Discovery on the Way to Exascale
Invited talk, NHR Conference '23. Berlin, Germany, Sep. 18, 2023
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James Kermode
Multiscale and data-driven methods for the simulation of material failure [abstract]
Invited talk, livMatS Colloquium, University of Freiburg, July 5, 2023
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James Kermode
Scale Bridging Materials Modelling at Extreme Computational Scales [abstract]
Invited talk, IPAM, Los Angeles, April 19, 2023
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Jose Julio Gutiérrez Moreno
Atomic level computational materials modelling in the exascale era
Invited Seminar, University of Oviedo, April, 2023
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Claudia Draxl
High-throughput spectroscopy and materials discovery by beyond-DFT workflows and data-analysis frameworks [video]
Invited Talk, IPAM Workshop III: Complex Scientific Workflows at Extreme Computational Scales, Los Angeles, May 2, 2023
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Markus Scheidgen
Schemas for Research Data – Enabling material scientists to define, provide, and use data [slides]
Invited Talk, FONDA DSL Workshop, Humboldt-Universität zu Berlin, March 17, 2023
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Luca Ghiringhelli
Materials Data after FAIR Principles-Use Cases, Facilitation and Infrastructure
Invited Talk, The 2nd MGE Workshop towards Materials Data Standards & CSTM FC97 Forum, 2022, Febuary 16, 2023
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Markus Scheidgen
Usage of PIDs in NOMAD now and in the future [slides]
Invited Talk, Base4NFDI PID Workshop 2023, January 27, 2023
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Markus Scheidgen
Data Management [slides]
Invited Talk, IKZ Winterschool 2023, Berlin, January 23, 2023
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José A. Márquez Prieto
AI-Ready Experimental Data of Novel Solar Cells in the NOMAD Laboratory
Invited Talk, ISusMat: Bridging Modelling and Measurement, January 11, 2023
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Markus Scheidgen
Structured data acquisation with NOMAD's ELN functions [video]
Invited Talk, NFDI-MatWerk Introductory Session, December 8, 2022
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Claudia Draxl
From traditional physics research to data-centric approaches: Impact of the "I" in FAIR [abstract]
Webinar, Journal of Materials Informatics Webinar, September 15, 2022
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Matthias Scheffler
Learning Rules for Materials Properties and Functions by Artificial Intelligence
Invited Talk, US Materials Research Society Fall Meeting, December 2, 2021
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Matthias Scheffler
Artificial Intelligence for Surface Science and Heterogeneous Catalysis: Learning Rules and Creating Maps of Materials Properties
Plenary Talk, 9th International Symposium on Surface Science (ISSS9), December 1, 2021
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Claudia Draxl
From FAIR Data to Knowledge and Novel Materials [abstract]
Invited talk at the conference Physics for Society: Grand Challenges in the HORIZON 2050, Berlin, October 28-29, 2021
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Claudia Draxl
FAIRmat – Making Materials Data Findable and AI Ready
Invited talk, Fall Meeting of the German Physical Society (DPG), virtual meeting, September 28, 2021
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Claudia Draxl
From Data Mining to Knowledge: Refining a Precious Raw Material of the 21st Century [abstract]
Keynote Talk , International Symposium on Nanoscale Research, Leoben, Austria, September 20, 2021
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Claudia Draxl
FAIR Data and Artificial Intelligence towards New Horizons in Materials Research
Plenary talk, EUROMAT 2021, virtual meeting, September 12-16, 2021
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Claudia Draxl
FAIRmat’s Approach to Data-centric Science [abstract]
Invited talk, SHU - MGI - FAIR-DI Workshop 2021 on FAIR-Data-Driven Materials Research, China, virtual meeting, June 17, 2021
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Claudia Draxl
From data to knowledge
Invited talk, International Materials Square Workshop on Computer-Aided Materials Discovery, Korea, virtual meeting, June 3, 2021
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Claudia Draxl
From data to knowledge
Invited talk, FunMat-II seminar on AI and machine learning for materials design, Sweden, virtual meeting, June 3, 2021
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Claudia Draxl
From physics today to publishing and research of tomorrow [abstract]
Physics Colloquium, University of Kiel, May 4, 2021
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Claudia Draxl
From data to knowledge
Seminar, 4th installment of the CECAM Mixed-Gen series on the topic of Data Driven Science, April 8, 2021
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Claudia Draxl
New Horizons for Materials Research
Invited talk, APS March Meeting, March 15-19, 2021
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Claudia Draxl
Recycle the Waste!
Talk, APE, January 12-13, 2021
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Claudia Draxl
FAIR Data Infrastructures Towards New Horizons for Materials Research
Talk, 2020 Virtual MRS Fall Meeting, December 4, 2020
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Matthias Scheffler
Claudia Draxl
Sharing is caring! Mit FAIRem Datenmanagement und KI die Materialien der Zukunft entdecken (DE) [video]
Plenary talk together with Peter Frensch, Berlin Science Week, November 10, 2020
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Claudia Draxl
FAIRmat - FAIR Data Infrastructure for Condensed-Matter and Chemical Physics [video]
Keynote, EPICS Collaboration Fall Meeting, October 19-20, 2020
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Claudia Draxl
Predicting Properties of Complex Materials: Challenges for Modern Ab Initio Theory [video]
HITS Colloquium, HITS, October 12, 2020
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Claudia Draxl
Stepping Stones towards the Fourth Paradigm of Materials Science [abstract]
Seminar, Research Training Group QM3, University Bremen, June 25, 2020
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Claudia Draxl
New Horizons for Materials Research - Role of FAIR Data [video]
Plenary talk, FAIR-DI e.V. virtual Conference on a FAIR Data Infrastructure for Materials Genomics, June 3-5, 2020
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Martin Aeschlimann
Data Acquisition in Angle-Resolved Photoemission Spectroscopy
Satellite Workshop, FAIR-DI e.V. virtual Conference on a FAIR Data Infrastructure for Materials Genomics, May 30, 2020
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Claudia Draxl
Towards FAIR Experimental Data
Invited talk, Spring Meeting of the German Physical Society (DPG), Dresden, Germany, March [Meeting canceled due to COVID-19], March 8, 2020
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Claudia Draxl
Verification and Error Estimates for Ab Initio Data
Invited talk, Spring Meeting of the German Physical Society (DPG), Dresden, Germany, March [Meeting canceled due to COVID-19], March 8, 2020
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Claudia Draxl
Opto-electronic Excitations of 2D Materials: Unraveling Similarities Through Fingerprints
Invited talk, APS March Meeting, Denver, USA [Meeting canceled due to COVID-19], March 6, 2020
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Claudia Draxl
Data-driven Research: the Fourth Paradigm of Materials Science
Werkstoffwissenschaftliches Kolloquium, January 28, Erlangen, 2020
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Claudia Draxl
Verification and Error Estimates for Ab Initio Data
Invited talk, Materials Research Meeting 2019 (MRM2019), Yokohama, Japan, December 10-14, 2019
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Claudia Draxl
Computational Materials Science: From Phase Diagrams to Optical Excitations and Data-driven Research
Physikerinnentagung, Berlin, Germany, November 20, 2019
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Claudia Draxl
FAIR Data Management in Materials Science - From Sample Synthesis to Artificial-intelligence
Invited talk, workshop on Forschungsdatenmanagement und Maschinelles Lernen in den Ingenieurwissenschaften am Beispiel der Materialwissenschaften, Karlsruhe, Germany, November 19-20, 2019
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Claudia Draxl
Open and Data-driven Science – the Need for a FAIR Data Infrastructure
Plenary talk, 5th International Conference on Molecular Simulation (ICMS 2019), Jeju, Korea, November 3-6, 2019
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Claudia Draxl
Benchmark Calculations Towards Ultimate Precision in Density-Functional Theory
Invited talk, Big Data Summer: A Summer School of the BiGmax Network, Platja d’Aro, Spain, September 9-13, 2019
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Claudia Draxl
The NOMAD Encyclopedia – a Tool for Exploring Computed Data
Invited talk, Big Data Summer: A Summer School of the BiGmax Network, Platja d’Aro, Spain, September 9-13, 2019
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Claudia Draxl
The NOMAD Project
Invited talk, Workshop Hands-On DFT and Beyond: High-throughput screening and big-data analytics, towards exascale computational materials science, Barcelona, Spain, August/September 6, 2019
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Claudia Draxl
Artificial Intelligence in Materials Science - Hype or Revolution?
Plenary talk, Joint Annual Meeting of the Swiss Physical Society and the Austrian Physical Society, Zurich, Switzerland, August 26-30, 2019
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Claudia Draxl
Shaping the Fourth Paradigm of Materials Science
Invited talk, 11th International Conference on Magnetic and Superconducting Materials (MSM11), Seoul, Korea, August 22, 2019
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Claudia Draxl
Verification and Error Estimates in Ab-initio Calculations
Invited talk, Symposium on Machine Learning in Materials Genome, Spetses, Greece, June 16-21, 2019
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Gian-Marco Rignanese
New High-Efficiency Photovoltaic Absorbers from High-Throughput Ab Initio Screening
Invited talk, Materials for Sustainable Development Conference (MATSUS), València (Spain), Mar 6-10, 2023
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Kristian Sommer Thygesen
From quantum mechanics to new materials via HPC
Keynote talk, The Danish e-Infrastructure Conference, Kolding, Denmark, Oct. 26-27, 2022
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Xavier Gonze
Zero-point renormalization of electronic energies : predominance of non-adiabatic effects and links with polaron physics
Invited talk, Psi-k 2022 conference (Lausanne, Switzerland), Aug 22-25, 2022