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C

Christoph Dellago

university of vienna

58H-index
289Paper Count
1.6WCitation Count
Published Papers 102
Publication Date
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NATPS: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface Hopping
errJournal of Physical Chemistry Letters
IF4.6
err2026-05-01
err0
errOAAI
errYang, Xiran; Reiner, Madlen Maria; Bachmair, Brigitta; Gonzalez, Leticia; Dietschreit, Johannes C. B.; Dellago, Christoph
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Comparing the Mechanical and Thermodynamic Definitions of Pressure in Ice Nucleation
errThe Journal of Physical Chemistry Letters
IF0
err2026-02-12
err0
errOAAI
errP. Montero de Hijes; K. Shi; C. Vega; C. Dellago
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errSave
Learning mappings between equilibrium states of liquid systems using normalizing flows
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-05-08
err0
errOAAI
errCoretti, Alessandro; Falkner, Sebastian; Geissler, Phillip L.; Dellago, Christoph
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Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-28
err0
errOAAI
errKocer, Emir; Singraber, Andreas; Finkler, Jonas A.; Misof, Philipp; Ko, Tsz Wai; Dellago, Christoph; Behler, Joerg
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Mechanism and kinetics of sodium diffusion in Na-feldspar from neural network based atomistic simulations
errACTA MATERIALIA
IF9.3
err2025-03-01
err0
errOAAI
errGorfer, Alexander; Abart, Rainer; Dellago, Christoph
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errSave
Unsupervised identification of crystal defects from atomistic potential descriptors
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2025-02-27
err1
errOAAI
errKyvala, Lukas; de Hijes, Pablo Montero; Dellago, Christoph
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Structure and Dynamics of the Magnetite(001)/Water Interface from Molecular Dynamics Simulations Based on a Neural Network Potential
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-13
err0
errOAAI
errRomano, Salvatore; de Hijes, Pablo Montero; Meier, Matthias; Kresse, Georg; Franchini, Cesare; Dellago, Christoph
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Electron-Beam-Induced Adatom-Vacancy-Complexes in Mono- and Bilayer Phosphorene
errADVANCED MATERIALS INTERFACES
IF4.4
err2024-12-13
err1
errOAAI
errSpeckmann, Carsten; Angeletti, Andrea; Kyvala, Lukas; Lamprecht, David; Herterich, Felix; Mangler, Clemens; Filipovic, Lado; Dellago, Christoph; Franchini, Cesare; Kotakoski, Jani
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Density isobar of water and melting temperature of ice: Assessing common density functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-03
err5
PREAI
errde Hijes, Pablo Montero; Dellago, Christoph; Jinnouchi, Ryosuke; Kresse, Georg
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errSave
Structure and thermodynamics of defects in Na-feldspar from a neural network potential
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-07-18
err2
errOAAI
errGorfer, Alexander; Abart, Rainer; Dellago, Christoph
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Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-01
err15
errOAAI
errOmranpour, Amir; Montero De Hijes, Pablo; Behler, Joerg; Dellago, Christoph
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Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-20
err13
errOAAI
errde Hijes, Pablo Montero; Dellago, Christoph; Jinnouchi, Ryosuke; Schmiedmayer, Bernhard; Kresse, Georg
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errSave
Diffusion and Coalescence of Phosphorene Monovacancies Studied Using High-Dimensional Neural Network Potentials
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-12-05
err2
errOAAI
errKyvala, Lukas; Angeletti, Andrea; Franchini, Cesare; Dellago, Christoph
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errSave
Molecular Hessian matrices from a machine learning random forest regression algorithm
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-20
err1
errOAAI
errDomenichini, Giorgio; Dellago, Christoph
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errSave
Conditioning Boltzmann generators for rare event sampling
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-09-22
err7
errOAAI
errFalkner, Sebastian; Coretti, Alessandro; Romano, Salvatore; Geissler, Phillip L.; Dellago, Christoph
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errSave
Optimizing the architecture of Behler-Parrinello neural network potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-09-01
err0
errOAAI
errKyvala, Lukas; Dellago, Christoph
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errSave
The kinetics of the ice-water interface from ab initio machine learning simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-24
err11
errOAAI
errde Hijes, P. Montero; Romano, S.; Gorfer, A.; Dellago, C.
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Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF11.7
err2023-04-24
err0
errOAAI
errBowman, Gregory R.; Cox, Stephen J.; Dellago, Christoph; Dubay, Kateri H.; Eaves, Joel D.; Fletcher, Daniel A.; Frechette, Layne B.; Grunwald, Michael; Klymko, Katherine; Ku, JiYeon; Omar, Ahmad K.; Rabani, Eran; Reichman, David R.; Rogers, Julia R.; Rosnik, Andreana M.; Rotskoff, Grant M.; Schneider, Anna R.; Schwierz, Nadine; Sivak, David A.; Vaikuntanathan, Suriyanarayanan; Whitelam, Stephen; Widmer-Cooper, Asaph
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Machine-guided path sampling to discover mechanisms of molecular self-organization
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-04-24
err53
errOAAI
errJung, Hendrik; Covino, Roberto; Arjun, A.; Leitold, Christian; Dellago, Christoph; Bolhuis, Peter G.; Hummer, Gerhard
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Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-23
err11
errOAAI
errde Hijes, P. Montero; Espinosa, J. R.; Vega, C.; Dellago, C.
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Research Directions

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Co-authors
Cooperation Journals
M
Michele Parrinello
H-index: 155 · Papers: 924
G
Georg Kresse
H-index: 128 · Papers: 503
B
Berend Smit
H-index: 121 · Papers: 794
D
Daan Frenkel
H-index: 115 · Papers: 712
G
Gerhard Hummer
H-index: 110 · Papers: 730
View more