Christoph Ortner

1. A foundation model for atomistic materials chemistry
   2023/12/29 by Ilyes Batatia, Philipp Benner, Batatia, Ilyes +182 · 5 voices · 133 citations
   Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
2. The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
   2022/05/13 by Ilyes Batatia, Batatia, Ilyes, Simon Batzner +15 · 55 citations
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
3. A Priori and A Posteriori Analysis of the Quasi-Nonlocal Quasicontinuum Method in 1D
   2009/11/03 by Christoph Ortner, Ortner, C. · 3 citations
   Engineering · Mathematics · #65N12 #65N15 #70C20 #Advanced Numerical Methods in Computational Mathematics #FOS: Mathematics #FOS: Physical sciences #Mathematical Physics (math-ph) #Numerical Analysis (math.NA) #Numerical methods in engineering #Numerical methods in inverse problems
4. Convergence and Cycling in Walker-type Saddle Search Algorithms
   2016/07/29 by Antoine Levitt, Levitt, Antoine, Christoph Ortner +1 · 2 citations
   Computer Science · Engineering · Mathematics · #Advanced Control Systems Optimization #Advanced Optimization Algorithms Research #Computational Physics (physics.comp-ph) #FOS: Mathematics #FOS: Physical sciences #Metaheuristic Optimization Algorithms Research #Numerical Analysis (math.NA) #Optimization and Control (math.OC)
5. Analysis of Boundary Conditions for Crystal Defect Atomistic Simulations
   2013/06/22 by Virginie Ehrlacher, Ehrlacher, V., Christoph Ortner +3 · 3 citations
   Engineering · Materials Science · #Advanced Numerical Methods in Computational Mathematics #Composite Material Mechanics #FOS: Mathematics #Microstructure and mechanical properties #Numerical Analysis (math.NA)
6. A General Framework for Equivariant Neural Networks on Reductive Lie Groups
   2023/05/31 by Ilyes Batatia, Batatia, Ilyes, Mario Geiger +9 · 3 citations
   Computer Science · Earth and Planetary Sciences · #Computational Physics and Python Applications #FOS: Computer and information sciences #FOS: Physical sciences #High Energy Physics - Theory (hep-th) #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Seismic Imaging and Inversion Techniques #Seismology and Earthquake Studies
7. Atomic Cluster Expansion without Self-Interaction
   2024/01/03 by Cheuk Hin Ho, Timon S. Gutleb, Ho, Cheuk Hin +3 · 3 citations
   Materials Science · #Computational Physics (physics.comp-ph) #Electron and X-Ray Spectroscopy Techniques #FOS: Mathematics #FOS: Physical sciences #Machine Learning in Materials Science #Numerical Analysis (math.NA) #X-ray Diffraction in Crystallography
8. Transferable Machine Learning Potential X-MACE for Excited States using Integrated DeepSets
   2025/02/18 by Rhyan Barrett, Christoph Ortner, Barrett, Rhyan +3 · 1 voice · 2 citations
   Physics and Astronomy · Engineering · #Advanced Optical Sensing Technologies #Semiconductor Quantum Structures and Devices #Terahertz technology and applications
9. Analysis of an Energy-based Atomistic/Continuum Coupling Approximation of a Vacancy in the 2D Triangular Lattice
   2011/04/02 by Christoph Ortner, Alexander V. Shapeev, Ortner, Christoph +1 · 3 citations
   Materials Science · #Graphene research and applications #Boron and Carbon Nanomaterials Research #Thermal properties of materials
10. Crouzeix-Raviart finite element method for non-autonomous variational problems with Lavrentiev gap
    2021/06/12 by Anna Kh. Balci, Balci, Anna Kh., Christoph Ortner +3 · 1 citation
    Computer Science · Engineering · Mathematics · #65M12 #65M60 #Advanced Mathematical Modeling in Engineering #Advanced Numerical Methods in Computational Mathematics #FOS: Mathematics #Iterative Methods for Nonlinear Equations #Numerical Analysis (math.NA)
11. The Effect of Crystal Symmetries on the Locality of Screw Dislocation\n Cores
    2017/10/20 by Julian Braun, Braun, Julian, Maciej Buze +3 · 1 citation
    Engineering · Materials Science · #35Q74 #49N60 #70C20 #74B20 #74G10 #74G65 #Analysis of PDEs (math.AP) #FOS: Mathematics #High Temperature Alloys and Creep #Microstructure and Mechanical Properties of Steels #Microstructure and mechanical properties
12. A framework for a generalisation analysis of machine-learned interatomic potentials
    2022/09/12 by Christoph Ortner, Yangshuai Wang, Ortner, Christoph +1 · 1 citation
    Materials Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Electron and X-Ray Spectroscopy Techniques #Advanced Electron Microscopy Techniques and Applications
13. Equivariant Matrix Function Neural Networks
    2023/10/16 by Ilyes Batatia, Batatia, Ilyes, Lars L. Schaaf +9 · 1 citation
    Computer Science · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Neural Networks and Reservoir Computing #Quantum many-body systems
14. The Spectrum of the Force-Based Quasicontinuum Operator for a\n Homogeneous Periodic Chain
    2010/04/20 by Matthew Dobson, Christoph Ortner, Dobson, Matthew +3 · 2 citations
    Computer Science · Engineering · #Advanced Mathematical Modeling in Engineering #Numerical methods in engineering #Composite Structure Analysis and Optimization
15. A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects
    2022/10/10 by Yangshuai Wang, James R. Kermode, Wang, Yangshuai +5 · 1 citation
    Engineering · #Aluminum Alloy Microstructure Properties #Non-Destructive Testing Techniques
16. A fast summation method for the DFT-D3 dispersion correction
    2026/07/16 by Victoria Valeeva, Cheuk Hin Ho, Mario Geiger +4
    #physics.comp-ph