Christoph Dellago

发表

Crystallization and flow in active patch systems.

Jaffar Hasnain, Georg Menzl, Swetlana Jungblut, 2017, Soft matter.

Dipole moment of water molecules in narrow pores

Christoph Dellago, Mor M. Naor, C. Dellago, 2005, Comput. Phys. Commun..

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

Christoph Dellago, Andreas Singraber, Jörg Behler, 2019, Journal of chemical theory and computation.

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

David Chandler, Christoph Dellago, Peter G Bolhuis, 2002, Annual review of physical chemistry.

Realizing Boltzmann's dream: computer simulations in modern statistical mechanics

Christoph Dellago, Harald A. Posch, C. Dellago, 2008 .

New methods: general discussion.

Sharon Hammes-Schiffer, Georg Menzl, Christoph Dellago, 2016, Faraday discussions.

Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics

Christoph Dellago, Gerhard Hummer, C. Dellago, 2013, Entropy.

Trajectory‐Based Rare Event Simulations

Christoph Dellago, Peter G. Bolhuis, C. Dellago, 2010 .

Protein design under competition for amino acids availability

Christoph Dellago, Ivan Coluzza, Francesca Nerattini, 2018, bioRxiv.

Wang-Landau sampling with self-adaptive range.

Christoph Dellago, Andreas Tröster, 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

Research data and source code supporting "Non-equilibrium simulations of thermally induced electric fields in water"

Christoph Dellago, Martin Neumann, Daan Frenkel, 2016 .

Microscopic thermodynamics with levitated nanoparticles (Conference Presentation)

Christoph Dellago, Lukas Novotny, Vijay Jain, 2016, NanoScience + Engineering.

Bridging the Time Scale Gap with Transition Path Sampling

David Chandler, Christoph Dellago, C. Dellago, 2002 .

Optimum bias for fast-switching free energy calculations

Christoph Dellago, Harald Oberhofer, C. Dellago, 2007, Comput. Phys. Commun..

Research data supporting "Numerical Evidence for Thermally Induced Monopoles"

Christoph Dellago, Peter Wirnsberger, Daniel Frenkel, 2017 .

Efficient extraction of free energy profiles from nonequilibrium experiments

Christoph Dellago, Harald Oberhofer, C. Dellago, 2009, J. Comput. Chem..

Research data supporting "eHEX algorithm - additional LAMMPS source files and example input scripts"

Christoph Dellago, Daan Frenkel, Peter Wirnsberger, 2015 .

The Fourier Monte Carlo Approach to Lattice Spin Models

Christoph Dellago, A. Tröster, 2010 .

Neural networks for local structure detection in polymorphic systems.

Christoph Dellago, Philipp Geiger, C. Dellago, 2013, The Journal of chemical physics.

Effect of Surface Structure on Shape Transformations of Gold Nanorods

Christoph Dellago, Stephen Teitel, C. Dellago, 2007 .

Potential energy landscape for proton transfer in (H2O)3H+: comparison of density functional theory and wavefunction-based methods

Christoph Dellago, Phillip L. Geissler, Troy Van Voorhis, 2000 .

Transition Path Sampling and the Calculation of Free Energies

Christoph Dellago, C. Dellago, 2007 .

Large time‐step, fast‐switching free energy calculations with non‐symplectic integrators

Christoph Dellago, Harald Oberhofer, 2007 .

Melting of icosahedral gold nanoclusters from molecular dynamics simulations.

Christoph Dellago, Yanting Wang, S Teitel, 2005, The Journal of chemical physics.

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

Christoph Dellago, C. Dellago, H. Posch, 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

Equilibrium Time Correlation Functions from Irreversible Transformations in Trajectory Space

Christoph Dellago, Phillip L. Geissler, C. Dellago, 2004 .

Structural and Morphological Transitions in Gold Nanorods: A Computer Simulation Study

Christoph Dellago, C. Dellago, Yanting Wang, 2003 .

Diffusion of isobutane in silicalite studied by transition path sampling

Christoph Dellago, Thijs J. H. Vlugt, Berend Smit, 2000 .

Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations

Jürgen Bernard, Christoph Dellago, Georg Kresse, 2014, The journal of physical chemistry. C, Nanomaterials and interfaces.

Optimising reaction coordinates for crystallisation by tuning the crystallinity definition

Swetlana Jungblut, Christoph Dellago, Andreas Singraber, 2013 .

Coarse Graining the φ4 Model: Landau-Ginzburg Potentials from Computer Simulations

Christoph Dellago, A. Tröster, 2007 .

Phase transition and interpore correlations of water in nanopore membranes.

Georg Menzl, Christoph Dellago, Jürgen Köfinger, 2012, Physical review letters.

Transition path sampling: throwing ropes over mountains in the dark

Christoph Dellago, Peter G. Bolhuis, David Chandler, 2000 .

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

Christoph Dellago, Lukas Novotny, Romain Quidant, 2014, Nature nanotechnology.

Single molecule pulling with large time steps.

Christoph Dellago, Stefan Boresch, Harald Oberhofer, 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

Nucleation and growth in structural transformations of nanocrystals.

Christoph Dellago, C. Dellago, M. Grünwald, 2009, Nano letters.

Monte Carlo Sampling in Path Space: Calculating Time Correlation Functions by Transforming Ensembles of Trajectories

Christoph Dellago, Phillip L. Geissler, 2003 .

Sampling ensembles of deterministic transition pathways

Christoph Dellago, Peter G. Bolhuis, David Chandler, 1998 .

Sequence controlled self-knotting colloidal patchy polymers.

Christoph Dellago, Ivan Coluzza, Erik Reimhult, 2013, Physical review letters.

On the efficiency of path sampling methods for the calculation of free energies from non-equilibrium simulations

Christoph Dellago, Wolfgang Lechner, 2007 .

Parallel Multistream Training of High-Dimensional Neural Network Potentials.

Christoph Dellago, Andreas Singraber, Jörg Behler, 2019, Journal of chemical theory and computation.

Role of Water in the Selection of Stable Proteins at Ambient and Extreme Thermodynamic Conditions

Christoph Dellago, Giancarlo Franzese, Ivan Coluzza, 2017 .

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

Christoph Dellago, Wolfgang Lechner, Peter G Bolhuis, 2011, The Journal of chemical physics.

Optimum protocol for fast-switching free-energy calculations.

Christoph Dellago, Philipp Geiger, 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

Activation Energies from Transition Path Sampling Simulations

Christoph Dellago, Peter G. Bolhuis, C. Dellago, 2004 .

Direct Measurement of Photon Recoil from a Levitated Nanoparticle.

Christoph Dellago, Lukas Novotny, Romain Quidant, 2016, Physical review letters.

Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements

Christoph Dellago, Peter G. Bolhuis, David Chandler, 1998 .

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

Christoph Dellago, Wolfgang Lechner, C. Dellago, 2008, The Journal of chemical physics.

Macroscopically ordered water in nanopores

Christoph Dellago, Gerhard Hummer, Jürgen Köfinger, 2008, Proceedings of the National Academy of Sciences.

On the calculation of reaction rate constants in the transition path ensemble

Christoph Dellago, Peter G. Bolhuis, David Chandler, 1999 .

Surface-driven bulk reorganization of gold nanorods.

Christoph Dellago, C. Dellago, S. Teitel, 2005, Nano letters.

Chemical dynamics of the protonated water trimer analyzed by transition path sampling

Christoph Dellago, David Chandler, C. Dellago, 1999 .

Ab initio analysis of proton transfer dynamics in (H2O)3H

Christoph Dellago, Michele Parrinello, David Chandler, 2000 .

UvA-DARE ( Digital Academic Repository ) Role of the prestructured surface cloud in crystal nucleation

Christoph Dellago, Wolfgang Lechner, Peter G Bolhuis, 2011 .

Optimizing transition interface sampling simulations.

Christoph Dellago, Ernesto E Borrero, C. Dellago, 2011, The Journal of chemical physics.

Calibration and energy measurement of optically levitated nanoparticle sensors.

Christoph Dellago, Lukas Novotny, Francesco Ricci, 2017, The Review of scientific instruments.

Proton transport through water-filled carbon nanotubes.

Christoph Dellago, Gerhard Hummer, C. Dellago, 2003, Physical review letters.

Kinetic pathways of ion pair dissociation in water

Christoph Dellago, David Chandler, Phillip L. Geissler, 1999 .

Direct measurement of Kramers turnover with a levitated nanoparticle.

Christoph Dellago, Lukas Novotny, Romain Quidant, 2017, Nature nanotechnology.