Selected talks and publications
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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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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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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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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
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
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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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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