Christoph Dellago

University of Vienna — Austria

Physics and Astronomy · Physical Sciences

57h-index16.4kcitations287works5.62yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Spectroscopy and Quantum Chemical Studies(75), Advanced Thermodynamics and Statistical Mechanics(63), Theoretical and Computational Physics(51), Material Dynamics and Properties(49), nanoparticles nucleation surface interactions(44)

Publications287 total

Comparing the Mechanical and Thermodynamic Definitions of Pressure in Ice Nucleation
The Journal of Physical Chemistry Letters·2026Open Access
Non-Markovian dynamics in ice nucleation
arXiv (Cornell University)·2025Open Access
Comparing the Mechanical and Thermodynamic Definitions of Pressure in Ice Nucleation
ArXiv.org·2025Open Access
Revisiting shooting point Monte Carlo methods for transition path sampling
The Journal of Chemical Physics·2025Open Access
Hydrogen bond topology reveals layering of LDL-like and HDL-like water at its liquid/vapor interface
The Journal of Chemical Physics·2025· 1 citedOpen Access
Nuclear quantum effects at the liquid/vapor interface from neural-network based path integral molecular dynamics simulations
The Journal of Chemical Physics·2025· 1 citedOpen Access
Learning mappings between equilibrium states of liquid systems using normalizing flows
The Journal of Chemical Physics·2025· 2 citedOpen Access
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
The Journal of Chemical Physics·2025· 7 cited
Unsupervised identification of crystal defects from atomistic potential descriptors
npj Computational Materials·2025· 9 citedOpen Access
Structure and Dynamics of the Magnetite(001)/Water Interface from Molecular Dynamics Simulations Based on a Neural Network Potential
Journal of Chemical Theory and Computation·2025· 6 citedOpen Access
Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
arXiv (Cornell University)·2025Open Access
Mechanism and kinetics of sodium diffusion in Na-feldspar from neural network based atomistic simulations
Acta Materialia·2024Open Access
Electron‐Beam‐Induced Adatom‐Vacancy‐Complexes in Mono‐ and Bilayer Phosphorene
Advanced Materials Interfaces·2024· 2 citedOpen Access
Structure of the water/magnetite interface from sum frequency generation experiments and neural network based molecular dynamics simulations
arXiv (Cornell University)·2024Open Access
Machine learning potentials for redox chemistry in solution
arXiv (Cornell University)·2024· 4 citedOpen Access
Density isobar of water and melting temperature of ice: Assessing common density functionals
The Journal of Chemical Physics·2024· 20 citedOpen Access
Electron-beam-induced adatom-vacancy-complexes in mono- and bilayer phosphorene
arXiv (Cornell University)·2024Open Access
Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential
arXiv (Cornell University)·2024· 1 citedOpen Access
Revisiting Shooting Point Monte Carlo Methods for Transition Path Sampling
arXiv (Cornell University)·2024· 2 citedOpen Access
Structure and thermodynamics of defects in Na-feldspar from a neural network potential
Physical Review Materials·2024· 2 citedOpen Access
page 1 of 15Next →

Frequent Co-authors

Peter G. Bolhuis(15), David Chandler(9), Phillip L. Geissler(7), Gerhard Hummer(6), Lukáš Novotný(5), Wolfgang Lechner(4), Jörg Behler(4), Andreas Singraber(3), Jan Gieseler(3), Romain Quidant(3), Yanting Wang(3), S. Teitel(3), Mor M. Naor(2), Clemens Moritz(2), Harald Oberhofer(2), Philipp Geiger(2), Georg Menzl(2), Jürgen Köfinger(2), Francesco Ricci(2), Georg Kresse(2)