Carbogno, Christian

1. Roadmap on Advancements of the FHI-aims Software Package
   2025/04/30 by Joseph W. Abbott, Carlos Mera Acosta, Abbott, Joseph W. +405 · 3 voices · 7 citations
   #cond-mat.mtrl-sci #physics.chem-ph
2. Simultaneous Learning of Several Materials Properties from Incomplete Databases with Multi-Task SISSO
   2019/01/04 by Runhai Ouyang, Emre Ahmetcik, Ouyang, Runhai +7 · 2 citations
   Materials Science · #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
3. On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials
   2023/09/01 by Shuaihua Lu, Lu, Shuaihua, Luca M. Ghiringhelli +7 · 3 citations
   Materials Science · #Electron and X-Ray Spectroscopy Techniques #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Thermal properties of materials
4. Accelerating Materials-Space Exploration for Thermal Insulators by Mapping Materials Properties via Artificial Intelligence
   2022/04/27 by Thomas A. R. Purcell, Matthias Scheffler, Purcell, Thomas A. R. +5 · 2 citations
   Chemical Engineering · Computer Science · Materials Science · #Catalysis and Oxidation Reactions #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Topic Modeling
5. Electric-Field Driven Nuclear Dynamics of Liquids and Solids from a Multi-Valued Machine-Learned Dipolar Model
   2025/02/04 by Elia Stocco, Stocco, Elia, Christian Carbogno +3 · 1 voice · 2 citations
   Earth and Planetary Sciences · Medicine · Materials Science · #cond-mat.mtrl-sci
6. Shared Metadata for Data-Centric Materials Science
   2022/05/29 by Ghiringhelli, Luca M., Baldauf, Carsten, Bereau, Tristan +32 · 1 citation
   #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
7. Numerical Quality Control for DFT-based Materials Databases
   2020/08/24 by Christian Carbogno, Kristian S. Thygesen, Carbogno, Christian +23 · 1 citation
   Chemistry · Materials Science · #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography #Zeolite Catalysis and Synthesis
8. Parametrically Constrained Geometry Relaxations for High-Throughput Materials Science
   2019/08/05 by Lenz, Maja-Olivia, Purcell, Thomas A. R., Hicks, David +3 · 1 citation
   #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
9. Carrier Mobility of Strongly Anharmonic Materials from First Principles
   2024/08/23 by Jingkai Quan, Quan, Jingkai, Christian Carbogno +3 · 2 citations
   Engineering · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Powder Metallurgy Techniques and Materials #Tunneling and Rock Mechanics
10. Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials through Active Learning
    2024/09/18 by Kang, Kisung, Purcell, Thomas A. R., Carbogno, Christian +1 · 1 citation
    #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
11. Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals
    2025/01/27 by Box, Connor L., Maurer, Reinhard J., Shang, Honghui +4 · 1 citation
    #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)