Christian Carbogno
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Abbott, Joseph W., Carlos Mera Acosta +405 · 3 voices · 7 citations
#cond-mat.mtrl-sci #physics.chem-ph
- 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 · 3 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
- 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
- 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
- Electric-Field Driven Nuclear Dynamics of Liquids and Solids from a Multi-Valued Machine-Learned Dipolar Model
2025/02/04 by Elia Stocco, Christian Carbogno, Stocco, Elia +3 · 1 voice · 2 citations
Earth and Planetary Sciences · Medicine · Materials Science · #cond-mat.mtrl-sci
- Parametrically Constrained Geometry Relaxations for High-Throughput\n Materials Science
2019/08/05 by Maja-Olivia Lenz, Lenz, Maja-Olivia, Thomas A. R. Purcell +9 · 1 citation
Chemistry · Materials Science · #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- 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
- Shared Metadata for Data-Centric Materials Science
2022/05/29 by Luca M. Ghiringhelli, Carsten Baldauf, Ghiringhelli, Luca M. +67 · 1 citation
Computer Science · Decision Sciences · #Data Quality and Management #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Research Data Management Practices #Scientific Computing and Data Management
- Carrier Mobility of Strongly Anharmonic Materials from First Principles
2024/08/23 by Jingkai Quan, Christian Carbogno, Quan, Jingkai +3 · 2 citations
Engineering · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Powder Metallurgy Techniques and Materials #Tunneling and Rock Mechanics
- Electronic Impurity Doping of a 2D Hybrid Lead Iodide Perovskite by Bi and Sn
2023/06/08 by Haipeng Lu, Gabrielle Koknat, Yi Yao +16 · 1 voice · 1 citation
Engineering · Materials Science · #2D Materials and Applications #Perovskite Materials and Applications #Quantum Dots Synthesis And Properties