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C

Christoph Ortner

University of British Columbia

37H-index
245Paper Count
4.6KCitation Count
Published Papers 41
Publication Date
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Flexible uncertainty calibration for machine-learned interatomic potentials
errnpj Computational Materials
IF11.9
err2026-04-27
err0
errOAAI
errCheuk Hin Ho; Christoph Ortner; YangShuai Wang
errShare
errSave
Regularity priors for the linear atomic cluster expansion
errmachine learning: science and technology
IF0
err2026-04-17
err0
errOAAI
errJames P Darby; Joe D Morrow; Albert P Bartók; Volker L Deringer; Gábor Csányi; Christoph Ortner
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errSave
An atomic cluster expansion potential for twisted multilayer graphene
errMachine Learning: Science and Technology
IF0
err2025-11-07
err0
errOAAI
errYangshuai Wang; Drake Clark; Sambit Das; Ziyan Zhu; Daniel Massatt; Vikram Gavini; Mitchell Luskin; Christoph Ortner
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errSave
Self-consistent Coulomb interactions for machine learning interatomic potentials
errNONLINEARITY
IF0
err2025-09-30
err0
PREAI
errThomas, Jack; Baldwin, Will; Csanyi, Gabor; Ortner, Christoph
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errSave
Fast automatically differentiable matrix functions and applications in molecular simulations
errComputer Physics Communications
IF3.4
err2025-09-09
err0
errOAAI
errTina Torabi; Timon S. Gutleb; Christoph Ortner
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errSave
Machine learning configuration-dependent friction tensors in Langevin heatbaths
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2025-01-28
err0
errOAAI
errSachs, Matthias; Stark, Wojciech G.; Maurer, Reinhard J.; Ortner, Christoph
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errSave
Atomic cluster expansion without self-interaction
errJOURNAL OF COMPUTATIONAL PHYSICS
IF3.8
err2024-10-01
err2
errOAAI
errHo, Cheuk Hin; Gutleb, Timon S.; Ortner, Christoph
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errSave
A posteriori error estimate and adaptivity for QM/MM models of defects
errCOMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
IF7.3
err2024-08-01
err0
errOAAI
errWang, Yangshuai; Kermode, James R.; Ortner, Christoph; Zhang, Lei
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errSave
Optimal evaluation of symmetry-adapted n-correlations via recursive contraction of sparse symmetric tensors
errJOURNAL OF NUMERICAL MATHEMATICS
IF4
err2024-03-30
err1
PREAI
errKaliuzhnyi, Illia; Ortner, Christoph
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errSave
A theoretical case study of the generalization of machine-learned potentials
errCOMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
IF7.3
err2024-03-01
err3
errOAAI
errWang, Yangshuai; Patel, Shashwat; Ortner, Christoph
errShare
errSave
A MULTILEVEL METHOD FOR MANY-ELECTRON SCHRO\DINGER EQUATIONS BASED ON THE ATOMIC CLUSTER EXPANSION
errSIAM JOURNAL ON SCIENTIFIC COMPUTING
IF2.6
err2024-01-16
err1
errOAAI
errZhou, Dexuan; Chen, Huajie; Ho, Cheuk Hin; Ortner, Christoph
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errSave
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-10-23
err17
errOAAI
errWitt, William C.; van der Oord, Cas; Gelzinyte, Elena; Jarvinen, Teemu; Ross, Andres; Darby, James P.; Ho, Cheuk Hin; Baldwin, William J.; Sachs, Matthias; Kermode, James; Bernstein, Noam; Csanyi, Gabor; Ortner, Christoph
errShare
errSave
Hyperactive learning for data-driven interatomic potentials
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2023-09-13
err33
errOAAI
errvan der Oord, Cas; Sachs, Matthias; Kovacs, David Peter; Ortner, Christoph; Csanyi, Gabor
errShare
errSave
Boost invariant polynomials for efficient jet tagging
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2022-12-28
err7
errOAAI
errMunoz, Jose M.; Batatia, Ilyes; Ortner, Christoph
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errSave
Comment on Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions [J. Chem. Phys. 156, 034302 (2022)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-11-02
err5
errOAAI
errPozdnyakov, Sergey N. N.; Willatt, Michael J. J.; Bartok, Albert P. P.; Ortner, Christoph; Csanyi, Gabor; Ceriotti, Michele
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errSave
Multilayer atomic cluster expansion for semilocal interactions
errPHYSICAL REVIEW RESEARCH
IF4.2
err2022-11-01
err19
errOAAI
errBochkarev, Anton; Lysogorskiy, Yury; Ortner, Christoph; Csaenyi, Gaebor; Drautz, Ralf
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errSave
Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2022-07-22
err21
errOAAI
errZhang, Liwei; Onat, Berk; Dusson, Genevieve; McSloy, Adam; Anand, G.; Maurer, Reinhard J.; Ortner, Christoph; Kermode, James R.
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errSave
Atomic cluster expansion: Completeness, efficiency and stability
errJOURNAL OF COMPUTATIONAL PHYSICS
IF3.8
err2022-04-01
err80
errOAAI
errDusson, Genevieve; Bachmayr, Markus; Csanyi, Gabor; Drautz, Ralf; Etter, Simon; van der Oord, Cas; Ortner, Christoph
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errSave
Linear Atomic Cluster Expansion Force Fields for Organic Molecules: Beyond RMSE
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-11-04
err88
errOAAI
errKovacs, David Peter; van der Oord, Cas; Kucera, Jiri; Allen, Alice E. A.; Cole, Daniel J.; Ortner, Christoph; Csanyi, Gabor
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errSave
A POSTERIORI ERROR ESTIMATES FOR ADAPTIVE QM/MM COUPLING METHODS
errSIAM JOURNAL ON SCIENTIFIC COMPUTING
IF2.6
err2021-08-04
err8
errOAAI
errWang, Yangshuai; Chen, Huajie; Liao, Mingjie; Ortner, Christoph; Wang, Hao; Zhang, Lei
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errSave

Research Directions

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Co-authors
Cooperation Journals
G
Gábor Cśanyi
H-index: 72 · Papers: 318
M
Michele Ceriotti
H-index: 62 · Papers: 416
V
Volker L. Deringer
H-index: 53 · Papers: 284
N
Nicholas I. M. Gould
H-index: 51 · Papers: 269
E
Endre Süli
H-index: 50 · Papers: 328
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