Christoph Ortner

84 papers A* 3Journal 81

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	The High Cost of Data Augmentation for Learning Equivariant Models. CoRR Henri Klintebäck, Christoph Ortner, Lior Silberman
2025	J	`jnl`	An atomic cluster expansion potential for twisted multilayer graphene. Mach. Learn. Sci. Technol. Yangshuai Wang, Drake Clark, Sambit Das, Ziyan Zhu, Daniel Massatt, Vikram Gavini, Mitchell Luskin, Christoph Ortner
2025	J	`jnl`	Fast automatically differentiable matrix functions and applications in molecular simulations. Comput. Phys. Commun. Tina Torabi, Timon S. Gutleb, Christoph Ortner
2025	J	`jnl`	Higher-Order Far-Field Boundary Conditions for Crystalline Defects. SIAM J. Numer. Anal. Julian Braun, Christoph Ortner, Yangshuai Wang, Lei Zhang
2025	J	`jnl`	Machine learning configuration-dependent friction tensors in Langevin heatbaths. Mach. Learn. Sci. Technol. Matthias Sachs, Wojciech G. Stark, Reinhard Johann Maurer, Christoph Ortner
2025	J	`jnl`	Optimal evaluation of symmetry-adapted n-correlations via recursive contraction of sparse symmetric tensors. J. Num. Math. Illia Kaliuzhnyi, Christoph Ortner
2025	J	`jnl`	Surrogate Models for Vibrational Entropy Based on a Spatial Decomposition. Multiscale Model. Simul. Tina Torabi, Christoph Ortner, Yangshuai Wang
2025	J	`jnl`	The design space of E(3)-equivariant atom-centred interatomic potentials. Nat. Mac. Intell. Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi
2024	J	`jnl`	A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion. SIAM J. Sci. Comput. Dexuan Zhou, Huajie Chen, Cheuk Hin Ho, Christoph Ortner
2024	J	`jnl`	Atomic Cluster Expansion without Self-Interaction. CoRR Cheuk Hin Ho, Timon S. Gutleb, Christoph Ortner
2024	J	`jnl`	Atomic cluster expansion without self-interaction. J. Comput. Phys. Cheuk Hin Ho, Timon S. Gutleb, Christoph Ortner
2024	A*	`conf`	Equivariant Matrix Function Neural Networks. ICLR Ilyes Batatia, Lars L. Schaaf, Gábor Csányi, Christoph Ortner, Felix A. Faber
2024	J	`jnl`	Parameterizing Intersecting Surfaces via Invariants. CoRR Timon S. Gutleb, Rhyan Barrett, Julia Westermayr, Christoph Ortner
2024	J	`jnl`	Stability of the minimum energy path. Numerische Mathematik Xuanyu Liu, Huajie Chen, Christoph Ortner
2024	J	`jnl`	Surrogate models for vibrational entropy based on a spatial decomposition. CoRR Tina Torabi, Yangshuai Wang, Christoph Ortner
2023	J	`jnl`	A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials. Multiscale Model. Simul. Christoph Ortner, Yangshuai Wang
2023	A*	`conf`	A General Framework for Equivariant Neural Networks on Reductive Lie Groups. NeurIPS Ilyes Batatia, Mario Geiger, Jose M. Munoz, Tess E. Smidt, Lior Silberman, Christoph Ortner
2023	J	`jnl`	A General Framework for Equivariant Neural Networks on Reductive Lie Groups. CoRR Ilyes Batatia, Mario Geiger, Jose M. Munoz, Tess E. Smidt, Lior Silberman, Christoph Ortner
2023	J	`jnl`	A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion. CoRR Dexuan Zhou, Huajie Chen, Cheuk Hin Ho, Christoph Ortner
2023	J	`jnl`	A Theoretical Case Study of the Generalisation of Machine-learned Potentials. CoRR Yangshuai Wang, Shashwat Patel, Christoph Ortner
2023	J	`jnl`	Elastic Far-Field Decay from Dislocations in Multilattices. Multiscale Model. Simul. Derek Olson, Christoph Ortner, Yangshuai Wang, Lei Zhang
2023	J	`jnl`	Equivariant Matrix Function Neural Networks. CoRR Ilyes Batatia, Lars L. Schaaf, Huajie Chen, Gábor Csányi, Christoph Ortner, Felix A. Faber
2023	J	`jnl`	Polynomial approximation of symmetric functions. Math. Comput. Markus Bachmayr, Geneviève Dusson, Christoph Ortner, Jack Thomas
2023	J	`jnl`	Retrieval of Boost Invariant Symbolic Observables via Feature Importance. CoRR Jose M. Munoz, Ilyes Batatia, Christoph Ortner, Francesco Romeo
2022	J	`jnl`	A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects. CoRR Yangshuai Wang, James R. Kermode, Christoph Ortner, Lei Zhang
2022	J	`jnl`	A framework for a generalisation analysis of machine-learned interatomic potentials. CoRR Christoph Ortner, Yangshuai Wang
2022	J	`jnl`	Atomic cluster expansion: Completeness, efficiency and stability. J. Comput. Phys. Geneviève Dusson, Markus Bachmayr, Gábor Csányi, Ralf Drautz, Simon Etter, Cas van der Oord, Christoph Ortner
2022	J	`jnl`	BIP: Boost Invariant Polynomials for Efficient Jet Tagging. CoRR Jose M. Munoz, Ilyes Batatia, Christoph Ortner
2022	J	`jnl`	Boost invariant polynomials for efficient jet tagging. Mach. Learn. Sci. Technol. Jose M. Munoz, Ilyes Batatia, Christoph Ortner
2022	J	`jnl`	Convergence of the Discrete Minimum Energy Path. CoRR Xuanyu Liu, Huajie Chen, Christoph Ortner
2022	J	`jnl`	Crouzeix-Raviart finite element method for non-autonomous variational problems with Lavrentiev gap. Numerische Mathematik Anna Kh. Balci, Christoph Ortner, Johannes Storn
2022	J	`jnl`	Higher Order Far-Field Boundary Conditions for Crystalline Defects. CoRR Julian Braun, Christoph Ortner, Yangshuai Wang, Lei Zhang
2022	A*	`conf`	MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields. NeurIPS Ilyes Batatia, Dávid Péter Kovács, Gregor N. C. Simm, Christoph Ortner, Gábor Csányi
2022	J	`jnl`	MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields. CoRR Ilyes Batatia, Dávid Péter Kovács, Gregor N. C. Simm, Christoph Ortner, Gábor Csányi
2022	J	`jnl`	Optimal Evaluation of Symmetry-Adapted n-Correlations Via Recursive Contraction of Sparse Symmetric Tensors. CoRR Illia Kaliuzhnyi, Christoph Ortner
2022	J	`jnl`	QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models. Multiscale Model. Simul. Huajie Chen, Christoph Ortner, Yangshuai Wang
2022	J	`jnl`	Stability of the Minimum Energy Path. CoRR Xuanyu Liu, Huajie Chen, Christoph Ortner
2022	J	`jnl`	Tensor-reduced atomic density representations. CoRR James P. Darby, Dávid Péter Kovács, Ilyes Batatia, Miguel A. Caro, Gus L. W. Hart, Christoph Ortner, Gábor Csányi
2022	J	`jnl`	The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials. CoRR Ilyes Batatia, Simon L. Batzner, Dávid Péter Kovács, Albert Musaelian, Gregor N. C. Simm, Ralf Drautz, Christoph Ortner, Boris Kozinsky, Gábor Csányi
2021	J	`jnl`	A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods. SIAM J. Sci. Comput. Yangshuai Wang, Huajie Chen, Mingjie Liao, Christoph Ortner, Hao Wang, Lei Zhang
2021	J	`jnl`	Atomic permutationally invariant polynomials for fitting molecular force fields. Mach. Learn. Sci. Technol. Alice E. A. Allen, Geneviève Dusson, Christoph Ortner, Gábor Csányi
2021	J	`jnl`	Crouzeix-Raviart finite element method for non-autonomous variational problems with Lavrentiev gap. CoRR Anna Kh. Balci, Christoph Ortner, Johannes Storn
2021	J	`jnl`	Polynomial Approximation of Symmetric Functions. CoRR Markus Bachmayr, Geneviève Dusson, Christoph Ortner
2021	J	`jnl`	QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned Interatomic Potentials. CoRR Huajie Chen, Christoph Ortner, Yangshuai Wang
2020	J	`jnl`	A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods. CoRR Yangshuai Wang, Huajie Chen, Mingjie Liao, Christoph Ortner, Hao Wang, Lei Zhang
2020	J	`jnl`	Modeling and Computation of Kubo Conductivity for Two-Dimensional Incommensurate Bilayers. Multiscale Model. Simul. Simon Etter, Daniel Massatt, Mitchell Luskin, Christoph Ortner
2020	J	`jnl`	Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials. Mach. Learn. Sci. Technol. Cas van der Oord, Geneviève Dusson, Gábor Csányi, Christoph Ortner
2020	J	`jnl`	Sharp Uniform Convergence Rate of the Supercell Approximation of a Crystalline Defect. SIAM J. Numer. Anal. Julian Braun, Christoph Ortner
2019	J	`jnl`	Approximation of Potential Energy Surfaces with Spherical Harmonics. CoRR Markus Bachmayr, Gábor Csányi, Geneviève Dusson, Simon Etter, Cas van der Oord, Christoph Ortner
2019	J	`jnl`	Modeling and Computation of Kubo Conductivity for 2D Incommensurate Bilayers. CoRR Simon Etter, Daniel Massatt, Mitchell Luskin, Christoph Ortner
2019	J	`jnl`	The Effect of Crystal Symmetries on the Locality of Screw Dislocation Cores. SIAM J. Math. Anal. Julian Braun, Maciej Buze, Christoph Ortner
2018	J	`jnl`	Force-based atomistic/continuum blending for multilattices. Numerische Mathematik Derek Olson, Xingjie Li, Christoph Ortner, Brian Van Koten
2018	J	`jnl`	Incommensurate Heterostructures in Momentum Space. Multiscale Model. Simul. Daniel Massatt, Stephen Carr, Mitchell Luskin, Christoph Ortner
2017	J	`jnl`	Analysis of a Predictor-Corrector Method for Computationally Efficient Modeling of Surface Effects in 1D. Multiscale Model. Simul. Andrew Binder, Mitchell Luskin, Christoph Ortner
2017	J	`jnl`	Convergence and Cycling in Walker-type Saddle Search Algorithms. SIAM J. Numer. Anal. Antoine Levitt, Christoph Ortner
2017	J	`jnl`	Electronic Density of States for Incommensurate Layers. Multiscale Model. Simul. Daniel Massatt, Mitchell Luskin, Christoph Ortner
2017	J	`jnl`	QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing. Multiscale Model. Simul. Huajie Chen, Christoph Ortner
2016	J	`jnl`	A dimer-type saddle search algorithm with preconditioning and linesearch. Math. Comput. Nicholas I. M. Gould, Christoph Ortner, D. Packwood
2016	J	`jnl`	Analysis of blended atomistic/continuum hybrid methods. Numerische Mathematik Xingjie Helen Li, Christoph Ortner, Alexander V. Shapeev, Brian Van Koten
2016	J	`jnl`	Atomistic/Continuum Blending with Ghost Force Correction. SIAM J. Sci. Comput. Christoph Ortner, Lei Zhang
2016	J	`jnl`	QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model. Multiscale Model. Simul. Huajie Chen, Christoph Ortner
2015	J	`jnl`	Analysis of Stable Screw Dislocation Configurations in an Antiplane Lattice Model. SIAM J. Math. Anal. Thomas Hudson, Christoph Ortner
2014	J	`jnl`	(In-)stability and Stabilization of QNL-Type Atomistic-to-Continuum Coupling Methods. Multiscale Model. Simul. Christoph Ortner, Alexander V. Shapeev, Lei Zhang
2014	J	`jnl`	An Approach to Nonlinear Viscoelasticity via Metric Gradient Flows. SIAM J. Math. Anal. Alexander Mielke, Christoph Ortner, Yasemin Sengül
2013	J	`jnl`	Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice. Math. Comput. Christoph Ortner, Alexander V. Shapeev
2013	J	`jnl`	Atomistic-to-Continuum Coupling Approximation of a One-Dimensional Toy Model for Density Functional Theory. Multiscale Model. Simul. B. Langwallner, Christoph Ortner, Endre Süli
2013	J	`jnl`	Atomistic-to-continuum coupling. Acta Numer. Mitchell Luskin, Christoph Ortner
2013	J	`jnl`	Symmetries of 2-Lattices and Second Order Accuracy of the Cauchy-Born Model. Multiscale Model. Simul. Brian Van Koten, Christoph Ortner
2012	J	`jnl`	Construction and Sharp Consistency Estimates for Atomistic/Continuum Coupling Methods with General Interfaces: A Two-Dimensional Model Problem. SIAM J. Numer. Anal. Christoph Ortner, Lei Zhang
2012	J	`jnl`	Positive Definiteness of the Blended Force-Based Quasicontinuum Method. Multiscale Model. Simul. Xingjie Helen Li, Mitchell Luskin, Christoph Ortner
2012	J	`jnl`	The Spectrum of the Force-Based Quasicontinuum Operator for a Homogeneous Periodic Chain. Multiscale Model. Simul. Matthew Dobson, Christoph Ortner, Alexander V. Shapeev
2011	J	`jnl`	A priori and a posteriori analysis of the quasinonlocal quasicontinuum method in 1D. Math. Comput. Christoph Ortner
2011	J	`jnl`	A priori error analysis of two force-based atomistic/continuum models of a periodic chain. Numerische Mathematik Charalambos G. Makridakis, Christoph Ortner, Endre Süli
2011	J	`jnl`	A priori error estimates for optimal control problems with pointwise constraints on the gradient of the state. Numerische Mathematik Christoph Ortner, Winnifried Wollner
2011	J	`jnl`	On the Convergence of Adaptive Nonconforming Finite Element Methods for a Class of Convex Variational Problems. SIAM J. Numer. Anal. Christoph Ortner, Dirk Praetorius
2011	J	`jnl`	Robust A Priori and A Posteriori Error Analysis for the Approximation of Allen-Cahn and Ginzburg-Landau Equations Past Topological Changes. SIAM J. Numer. Anal. Sören Bartels, Rüdiger Müller, Christoph Ortner
2010	J	`jnl`	An Adaptive Finite Element Approximation of a Variational Model of Brittle Fracture. SIAM J. Numer. Anal. Siobhan Burke, Christoph Ortner, Endre Süli
2010	J	`jnl`	Analysis of a Class of Penalty Methods for Computing Singular Minimizers. Comput. Methods Appl. Math. Carsten Carstensen, Christoph Ortner
2010	J	`jnl`	Convergence of simple adaptive Galerkin schemes based on Numerische Mathematik Samuel Ferraz-Leite, Christoph Ortner, Dirk Praetorius
2010	J	`jnl`	Sharp Stability Estimates for the Force-Based Quasicontinuum Approximation of Homogeneous Tensile Deformation. Multiscale Model. Simul. Matthew Dobson, Mitchell Luskin, Christoph Ortner
2009	J	`jnl`	A Posteriori Existence in Numerical Computations. SIAM J. Numer. Anal. Christoph Ortner
2009	J	`jnl`	An Analysis of Node-Based Cluster Summation Rules in the Quasicontinuum Method. SIAM J. Numer. Anal. Mitchell Luskin, Christoph Ortner
2007	J	`jnl`	Discontinuous Galerkin Finite Element Approximation of Nonlinear Second-Order Elliptic and Hyperbolic Systems. SIAM J. Numer. Anal. Christoph Ortner, Endre Süli
2006	J	`jnl`	Gradient Flows as a Selection Procedure for Equilibria of Nonconvex Energies. SIAM J. Math. Anal. Christoph Ortner