Követés
Christoph Ortner
Cím
Hivatkozott rá
Hivatkozott rá
Év
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
4582022
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
4512021
Incompleteness of atomic structure representations
SN Pozdnyakov, MJ Willatt, AP Bartók, C Ortner, G Csányi, M Ceriotti
Physical Review Letters 125 (16), 166001, 2020
1982020
Existence of solutions to a regularized model of dynamic fracture
CJ Larsen, C Ortner, E Süli
Mathematical Models and Methods in Applied Sciences 20 (07), 1021-1048, 2010
1742010
An adaptive finite element approximation of a variational model of brittle fracture
S Burke, C Ortner, E Süli
SIAM Journal on Numerical Analysis 48 (3), 980-1012, 2010
1682010
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
1562021
Compact embeddings of broken Sobolev spaces and applications
A Buffa, C Ortner
IMA journal of numerical analysis 29 (4), 827-855, 2009
1452009
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
134*2016
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
1322022
Atomistic-to-continuum coupling
M Luskin, C Ortner
Acta Numerica 22, 397-508, 2013
1242013
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
1192021
A foundation model for atomistic materials chemistry
I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ...
arXiv preprint arXiv:2401.00096, 2023
1102023
The design space of e (3)-equivariant atom-centered interatomic potentials
I Batatia, S Batzner, DP Kovács, A Musaelian, GNC Simm, R Drautz, ...
arXiv preprint arXiv:2205.06643, 2022
1092022
Discontinuous Galerkin finite element approximation of nonlinear second-order elliptic and hyperbolic systems
C Ortner, E Süli
SIAM Journal on Numerical Analysis 45 (4), 1370-1397, 2007
902007
Quasi-static crack propagation by Griffith's criterion
M Negri, C Ortner
Mathematical Models and Methods in Applied Sciences 18 (11), 1895-1925, 2008
892008
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
882013
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
822020
Stability, instability, and error of the force-based quasicontinuum approximation
M Dobson, M Luskin, C Ortner
Archive for Rational Mechanics and Analysis 197, 179-202, 2010
792010
Analysis of a quasicontinuum method in one dimension
C Ortner, E Süli
ESAIM: Mathematical Modelling and Numerical Analysis 42 (1), 57-91, 2008
79*2008
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
752016
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