Selected talks and publications

  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
    Tackling the interplay between competing interactions in complex materials [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 7, 2024
  3. Markus Rampp
    The reach of exascale architectures across the physical sciences [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 5, 2024
  4. Matthias Scheffler
    Electrical Conductivity and Carrier Mobility for Strongly Anharmonic Materials from First Principles [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 4, 2024
  5. Thomas Purcell
    Recent Advancements in SISSO as Applied to Thermal Conductivity [abstract]
    Invited talk, APS March Meeting, Minneapolis, March 4, 2024
  6. 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
  7. 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
  8. 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
  9. 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
  10. 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.
  11. Jose Julio Gutiérrez Moreno
    Atomic-level bottom-up design of materials for green H2 production
    Invited talk, Solar2Chem Conference, Tarragona, Spain, Sep 20, 2023
  12. 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
  13. Kristian Sommer Thygesen
    Computing the properties of all known inorganic crystals
    Invited talk, The Danish e-Infrastructure Conference, Kolding, Denmark, Nov. 7-8, 2023
  14. 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
  15. 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
  16. Claudia Draxl
    Electronic-Structure Theory and Materials Discovery on the Way to Exascale
    Invited talk, NHR Conference '23. Berlin, Germany, Sep. 18, 2023
  17. James Kermode
    Multiscale and data-driven methods for the simulation of material failure [abstract]
    Invited talk, livMatS Colloquium, University of Freiburg, July 5, 2023
  18. James Kermode
    Scale Bridging Materials Modelling at Extreme Computational Scales [abstract]
    Invited talk, IPAM, Los Angeles, April 19, 2023
  19. Jose Julio Gutiérrez Moreno
    Atomic level computational materials modelling in the exascale era
    Invited Seminar, University of Oviedo, April, 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, Los Angeles, May 2, 2023
  21. 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
  22. Kristian Sommer Thygesen
    From quantum mechanics to new materials via HPC
    Keynote talk, The Danish e-Infrastructure Conference, Kolding, Denmark, Oct. 26-27, 2022
  23. 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