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Selected talks and publications

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  1. 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
  2. Claudia Draxl
    From research data to data-centric research [video]
    Invited Talk, Friedrich-Alexander-Universität Erlangen-Nürnberg, 2024
  3. Claudia Draxl
    Tackling the interplay between competing interactions in complex materials [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 7, 2024
  4. Markus Rampp
    The reach of exascale architectures across the physical sciences [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 5, 2024
  5. Matthias Scheffler
    Electrical Conductivity and Carrier Mobility for Strongly Anharmonic Materials from First Principles [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 4, 2024
  6. Thomas Purcell
    Recent Advancements in SISSO as Applied to Thermal Conductivity [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 4, 2024
  7. 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
  8. 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
  9. 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
  10. 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
  11. 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.
  12. Markus Scheidgen
    FAIR research data management for materials science with NOMAD
    Invited Talk, TKFDM Coffee Lecture Serie, June 28, 2023
  13. Jose Julio Gutiérrez Moreno
    Atomic-level bottom-up design of materials for green H2 production
    Invited talk, Solar2Chem Conference, Tarragona, Spain, Sep 20, 2023
  14. 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
  15. Kristian Sommer Thygesen
    Computing the properties of all known inorganic crystals
    Invited talk, The Danish e-Infrastructure Conference, Kolding, Denmark, Nov. 7-8, 2023
  16. 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
  17. 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
  18. James Kermode
    Multiscale and data-driven methods for the simulation of material failure [abstract]
    Invited talk, livMatS Colloquium, University of Freiburg, July 5, 2023
  19. James Kermode
    Scale Bridging Materials Modelling at Extreme Computational Scales [video]
    Invited talk, IPAM, Los Angeles, April 17, 2023
  20. 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, May 2, 2023
  21. 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
  22. 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
  23. Markus Scheidgen
    Usage of PIDs in NOMAD now and in the future [slides]
    Invited Talk, Base4NFDI PID Workshop 2023, January 27, 2023
  24. Markus Scheidgen
    Data Management [slides]
    Invited Talk, IKZ Winterschool 2023, Berlin, January 23, 2023
  25. 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
  26. Markus Scheidgen
    Structured data acquisation with NOMAD's ELN functions [video]
    Invited Talk, NFDI-MatWerk Introductory Session, December 8, 2022
  27. 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
  28. Matthias Scheffler
    Learning Rules for Materials Properties and Functions by Artificial Intelligence
    Invited Talk, US Materials Research Society Fall Meeting, December 2, 2021
  29. 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
  30. 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
  31. 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
  32. 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
  33. Claudia Draxl
    FAIR Data and Artificial Intelligence towards New Horizons in Materials Research
    Plenary talk, EUROMAT 2021, virtual meeting, September 12-16, 2021
  34. 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
  35. Claudia Draxl
    From data to knowledge
    Invited talk, International Materials Square Workshop on Computer-Aided Materials Discovery, Korea, virtual meeting, June 3, 2021
  36. 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
  37. Claudia Draxl
    From physics today to publishing and research of tomorrow [abstract]
    Physics Colloquium, University of Kiel, May 4, 2021
  38. 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
  39. Claudia Draxl
    New Horizons for Materials Research
    Invited talk, APS March Meeting, March 15-19, 2021
  40. Claudia Draxl
    Recycle the Waste!
    Talk, APE, January 12-13, 2021
  41. Claudia Draxl
    FAIR Data Infrastructures Towards New Horizons for Materials Research
    Talk, 2020 Virtual MRS Fall Meeting, December 4, 2020
  42. 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
  43. Claudia Draxl
    FAIRmat - FAIR Data Infrastructure for Condensed-Matter and Chemical Physics [video]
    Keynote, EPICS Collaboration Fall Meeting, October 19-20, 2020
  44. Claudia Draxl
    Predicting Properties of Complex Materials: Challenges for Modern Ab Initio Theory [video]
    HITS Colloquium, HITS, October 12, 2020
  45. Claudia Draxl
    Stepping Stones towards the Fourth Paradigm of Materials Science [abstract]
    Seminar, Research Training Group QM3, University Bremen, June 25, 2020
  46. 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
  47. 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
  48. 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
  49. 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
  50. 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
  51. Claudia Draxl
    Data-driven Research: the Fourth Paradigm of Materials Science
    Werkstoffwissenschaftliches Kolloquium, January 28, Erlangen, 2020
  52. Claudia Draxl
    Verification and Error Estimates for Ab Initio Data
    Invited talk, Materials Research Meeting 2019 (MRM2019), Yokohama, Japan, December 10-14, 2019
  53. Claudia Draxl
    Computational Materials Science: From Phase Diagrams to Optical Excitations and Data-driven Research
    Physikerinnentagung, Berlin, Germany, November 20, 2019
  54. 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
  55. 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
  56. 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
  57. 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
  58. 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
  59. 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
  60. 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
  61. 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
  62. 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
  63. 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