Articles with public access mandates - Christoph OrtnerLearn more
Not available anywhere: 2
Qm/mm methods for crystalline defects. part 3: machine-learned mm models
H Chen, C Ortner, Y Wang
Multiscale Modeling & Simulation 20 (4), 1490-1518, 2022
Mandates: National Natural Science Foundation of China, UK Engineering and Physical …
Elastic far-field decay from dislocations in multilattices
D Olson, C Ortner, Y Wang, L Zhang
Multiscale Modeling & Simulation 21 (4), 1379-1409, 2023
Mandates: National Natural Science Foundation of China, UK Engineering and Physical …
Available somewhere: 78
MACE: Higher order equivariant message passing neural networks for fast and accurate force fields
I Batatia, DP Kovacs, G Simm, C Ortner, G Csányi
Advances in Neural Information Processing Systems 35, 11423-11436, 2022
Mandates: Natural Sciences and Engineering Research Council of Canada, UK Engineering …
Physics-inspired structural representations for molecules and materials
F Musil, A Grisafi, AP Bartók, C Ortner, G Csányi, M Ceriotti
Chemical Reviews 121 (16), 9759-9815, 2021
Mandates: Swiss National Science Foundation
Incompleteness of atomic structure representations
SN Pozdnyakov, MJ Willatt, AP Bartók, C Ortner, G Csányi, M Ceriotti
Physical Review Letters 125 (16), 166001, 2020
Mandates: Swiss National Science Foundation
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
Y Lysogorskiy, C Oord, A Bochkarev, S Menon, M Rinaldi, ...
npj computational materials 7 (1), 97, 2021
Mandates: US Department of Energy, German Research Foundation
Atomic cluster expansion: Completeness, efficiency and stability
G Dusson, M Bachmayr, G Csányi, R Drautz, S Etter, C van Der Oord, ...
Journal of Computational Physics 454, 110946, 2022
Mandates: Agence Nationale de la Recherche
Analysis of boundary conditions for crystal defect atomistic simulations
V Ehrlacher, C Ortner, AV Shapeev
Archive for Rational Mechanics and Analysis 222, 1217-1268, 2016
Mandates: UK Engineering and Physical Sciences Research Council
Linear atomic cluster expansion force fields for organic molecules: beyond rmse
DP Kovács, C Oord, J Kucera, AEA Allen, DJ Cole, C Ortner, G Csányi
Journal of chemical theory and computation 17 (12), 7696-7711, 2021
Mandates: UK Engineering and Physical Sciences Research Council, UK Medical Research …
Atomistic-to-continuum coupling
M Luskin, C Ortner
Acta Numerica 22, 397-508, 2013
Mandates: UK Engineering and Physical Sciences Research Council
The design space of E (3)-equivariant atom-centred interatomic potentials
I Batatia, S Batzner, DP Kovács, A Musaelian, GNC Simm, R Drautz, ...
Nature Machine Intelligence, 1-12, 2025
Mandates: UK Engineering and Physical Sciences Research Council, UK Science and …
An adaptive finite element approximation of a generalized Ambrosio–Tortorelli functional
S Burke, C Ortner, E Sueli
Mathematical Models and Methods in Applied Sciences 23 (09), 1663-1697, 2013
Mandates: UK Engineering and Physical Sciences Research Council
Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials
C van Der Oord, G Dusson, G Csányi, C Ortner
Machine Learning: Science and Technology 1 (1), 015004, 2020
Mandates: UK Engineering and Physical Sciences Research Council
A universal preconditioner for simulating condensed phase materials
D Packwood, J Kermode, L Mones, N Bernstein, J Woolley, N Gould, ...
The Journal of Chemical Physics 144 (16), 2016
Mandates: US Department of Energy, UK Engineering and Physical Sciences Research …
Robust a priori and a posteriori error analysis for the approximation of Allen–Cahn and Ginzburg–Landau equations past topological changes
S Bartels, R Müller, C Ortner
SIAM journal on numerical analysis 49 (1), 110-134, 2011
Mandates: German Research Foundation
Hyperactive learning for data-driven interatomic potentials
C van der Oord, M Sachs, DP Kovács, C Ortner, G Csányi
npj Computational Materials 9 (1), 168, 2023
Mandates: Natural Sciences and Engineering Research Council of Canada, UK Engineering …
QM/MM methods for crystalline defects. Part 1: Locality of the tight binding model
H Chen, C Ortner
Multiscale Modeling & Simulation 14 (1), 232-264, 2016
Mandates: UK Engineering and Physical Sciences Research Council, European Commission
Convergence of simple adaptive Galerkin schemes based on h − h/2 error estimators
S Ferraz-Leite, C Ortner, D Praetorius
Numerische Mathematik 116, 291-316, 2010
Mandates: Austrian Science Fund
Atomic permutationally invariant polynomials for fitting molecular force fields
AEA Allen, G Dusson, C Ortner, G Csányi
Machine Learning: Science and Technology 2 (2), 025017, 2021
Mandates: Agence Nationale de la Recherche
Existence and stability of a screw dislocation under anti-plane deformation
T Hudson, C Ortner
Archive for Rational Mechanics and Analysis 213 (3), 887-929, 2014
Mandates: UK Engineering and Physical Sciences Research Council
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