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List of works by Christoph Dellago

A High Coordination of Cross-Links Is Beneficial for the Strength of Cross-Linked Fibers

scientific article published on 04 February 2019

A Shape-Induced Orientation Phase within 3D Nanocrystal Solids

scientific article published on 26 June 2018

A Statistical Methodology to Reconstruct Nucleation Pathways in the Fe-Cu System

A coarse-grained model for DNA-functionalized spherical colloids, revisited: effective pair potential from parallel replica simulations

scientific article published on 01 January 2013

A one-dimensional dipole lattice model for water in narrow nanopores.

scientific article

A proof of Jarzynski's nonequilibrium work theorem for dynamical systems that conserve the canonical distribution.

scientific article published in August 2006

A string reaction coordinate for the folding of a polymer chain ⬇️

scientific article published on 29 April 2015

Ab initio structure and thermodynamics of the RPBE-D3 water/vapor interface by neural-network molecular dynamics

scientific article published on 01 October 2020

Ab initio thermodynamics of liquid and solid water

scientific article published on 04 January 2019

Accurate determination of crystal structures based on averaged local bond order parameters

scientific article published on 01 September 2008

An efficient method to reconstruct free energy profiles for diffusive processes in transition interface sampling and forward flux sampling simulations

scientific article published on 01 March 2019

An efficient transition path sampling algorithm for nanoparticles under pressure.

scientific article published in October 2007

An enhanced version of the heat exchange algorithm with excellent energy conservation properties ⬇️

scientific article published in September 2015

Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: free energetics of an excess proton in a water droplet

scientific article published on 05 February 2008

Calibration and energy measurement of optically levitated nanoparticle sensors

scientific article published on 01 March 2018

Caveats of mean first-passage time methods applied to the crystallization transition: Effects of non-Markovianity

scientific article published on 01 February 2015

Comment on "Dissociation of water under pressure"

scientific article published on 16 October 2002

Computing the crystal growth rate by the interface pinning method ⬇️

scientific article published on 01 January 2015

Crystallization and flow in active patch systems

scientific article

Crystallization of a binary Lennard-Jones mixture ⬇️

scientific article published on March 14, 2011

Crystallization on prestructured seeds.

scientific article

Demixing of a binary symmetric mixture studied with transition path sampling

scientific article published on 01 September 2010

Density anomaly of water at negative pressures from first principles

scientific article published on 18 May 2018

Design of Patchy Rhombi: From Close-Packed Tilings to Open Lattices

scientific article published on 15 October 2019

Design of Protein-Protein Binding Sites Suggests a Rationale for Naturally Occurring Contact Areas

scientific article published on 26 December 2018

Detecting vapour bubbles in simulations of metastable water

scientific article published on 01 November 2014

Diffusion of isobutane in silicalite studied by transition path sampling

Direct Measurement of Photon Recoil from a Levitated Nanoparticle ⬇️

scientific article published on 13 June 2016

Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state ⬇️

scientific article published on 30 March 2014

Dynamical phases of attractive particles sliding on a structured surface

scientific article published on 29 April 2015

Effect of entropy on the nucleation of cavitation bubbles in water under tension ⬇️

scientific article published on December 2016

Efficient extraction of free energy profiles from nonequilibrium experiments

scientific article published on 01 August 2009

Entropy and kinetics of point defects in two-dimensional dipolar crystals. ⬇️

scientific article published on 5 March 2015

Equilibrium free energies from fast-switching trajectories with large time steps.

scientific article published in January 2006

Field-dependent collision frequency of the two-dimensional driven random Lorentz gas

scientific article published on 28 August 2001

Finite-precision stationary states at and away from equilibrium

scientific article published on 01 November 2000

Fluctuations, convergence times, correlation functions, and power laws from many-body Lyapunov spectra for soft and hard disks and spheres

scientific article published on 20 May 2002

Folding mechanism of a polymer chain with short-range attractions ⬇️

scientific article published on 01 October 2014

Frictional dynamics of stiff monolayers: from nucleation dynamics to thermal sliding

scientific article

Gas-phase formation of large neutral alkaline-earth metal tryptophan complexes.

scientific article

Heterogeneous Crystallization on Pairs of Pre-Structured Seeds

scientific article published on August 2016

How van der Waals interactions determine the unique properties of water ⬇️

scientific article

Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model.

scientific article published in October 2017

Ion dynamics: Wired-up water

scientific article published on 22 March 2012

Kinetics and Mechanism of Proton Transport across Membrane Nanopores

scientific article published in Physical Review Letters

Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials

scientific article published on 07 February 2019

Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common Models

scientific article published on 20 February 2017

Lyapunov Exponents from Kinetic Theory for a Dilute, Field-Driven Lorentz Gas

scientific article published on 01 September 1996

Lyapunov exponents of systems with elastic hard collisions

scientific article published on 01 September 1995

Lyapunov instability in a system of hard disks in equilibrium and nonequilibrium steady states

scientific article published on 01 February 1996

Lyapunov spectrum of the driven Lorentz gas

scientific article published on 01 November 1995

Mechanisms of the wurtzite to rocksalt transformation in CdSe nanocrystals

scientific article published on 27 June 2006

Melting Si: Beyond Density Functional Theory

scientific article published in Physical Review Letters

Melting of icosahedral gold nanoclusters from molecular dynamics simulations

scientific article published on 01 June 2005

Microscopic properties of nanopore water from its time-dependent dielectric response ⬇️

scientific article published on November 10, 2010

Molecular mechanism for cavitation in water under tension. ⬇️

scientific article

Neural networks for local structure detection in polymorphic systems

scientific article

New methods: general discussion.

scientific article published on 8 December 2016

Non-equilibrium simulations of thermally induced electric fields in water ⬇️

Nucleation and growth in structural transformations of nanocrystals

scientific article published on 01 May 2009

Nucleation and structural growth of cluster crystals ⬇️

scientific article published on 01 August 2016

Numerical evidence for thermally induced monopoles

scientific article published on 24 April 2017

Optimizing transition interface sampling simulations.

scientific article published in June 2011

Orientational dynamics and dielectric response of nanopore water

scientific article published on 17 August 2009

Overcoming barriers in trajectory space: mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling.

scientific article published in October 2010

Parallel Multistream Training of High-Dimensional Neural Network Potentials

scientific article published on 29 April 2019

Pathways to self-organization: Crystallization via nucleation and growth.

scientific article

Phase stability of the ice XVII-based CO2 chiral hydrate from molecular dynamics simulations

scientific article published on 01 September 2019

Phase transition and interpore correlations of water in nanopore membranes

scientific article published in Physical Review Letters

Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations

scientific article

Proton Transport through Water-Filled Carbon Nanotubes

scientific article published in Physical Review Letters

Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble

scientific article published on 01 October 2011

Rigid-lattice Monte Carlo study of nucleation kinetics in dilute bcc Fe-Cu alloys using statistical sampling techniques

Role of the prestructured surface cloud in crystal nucleation

scientific article published on 22 February 2011

S-shooting: a Bennett-Chandler-like method for the computation of rate constants from committor trajectories.

scientific article published on 3 October 2016

Self-organized defect strings in two-dimensional crystals.

scientific article published on 10 December 2013

Sequence controlled self-knotting colloidal patchy polymers

scientific article published on 11 February 2013

Simulation strategies and signatures of chaos in classical nonlinear response.

scientific article

Single-file water as a one-dimensional Ising model ⬇️

scientific article published on September 27, 2010

Surface-driven bulk reorganization of gold nanorods

scientific article published on 01 November 2005

The Eighth Liquid Matter Conference

scientific article published on 01 July 2012

The configurational space of colloidal patchy polymers with heterogeneous sequences

scientific article published on 27 June 2012

The generic unfolding of a biomimetic polymer during force spectroscopy

scientific article published on 08 April 2020

The role of directional interactions in the designability of generalized heteropolymers.

scientific article published on 10 July 2017

Theoretical Prediction of Thermal Polarization

scientific article published on 01 June 2018

Time-reversal symmetry and covariant Lyapunov vectors for simple particle models in and out of thermal equilibrium.

scientific article published on 20 October 2010

Toward the Mechanism of Ionic Dissociation in Water ⬇️

scientific article published on November 15, 2012

Transition path sampling: throwing ropes over rough mountain passes, in the dark.

scientific article

Transition state analysis of solid-solid transformations in nanocrystals.

scientific article published in October 2009

Vibrational spectroscopy of water in narrow nanopores.

scientific article

White-noise fluctuation theorem for Langevin dynamics

scientific article published in 2022

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