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 | 456 | 2022 |
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 | 449 | 2021 |
Incompleteness of atomic structure representations SN Pozdnyakov, MJ Willatt, AP Bartók, C Ortner, G Csányi, M Ceriotti Physical Review Letters 125 (16), 166001, 2020 | 197 | 2020 |
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 | 173 | 2010 |
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 | 168 | 2010 |
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 | 156 | 2021 |
Compact embeddings of broken Sobolev spaces and applications A Buffa, C Ortner IMA journal of numerical analysis 29 (4), 827-855, 2009 | 145 | 2009 |
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 | 131 | 2022 |
Atomistic-to-continuum coupling M Luskin, C Ortner Acta Numerica 22, 397-508, 2013 | 124 | 2013 |
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 | 119 | 2021 |
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 | 108 | 2022 |
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 | 107 | 2023 |
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 | 90 | 2007 |
Quasi-static crack propagation by Griffith's criterion M Negri, C Ortner Mathematical Models and Methods in Applied Sciences 18 (11), 1895-1925, 2008 | 89 | 2008 |
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 | 88 | 2013 |
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 | 81 | 2020 |
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 | 79 | 2010 |
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 | 75 | 2016 |