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The Journal of Chemical Physics|November 20, 2023
Molecular Hessian matrices from a machine learning random forest regression algorithmGiorgio Domenichini, Christoph DellagoThe Journal of Chemical Physics|March 25, 2024
Extending the definition of atomic basis sets to atoms with fractional nuclear chargeGiorgio DomenichiniThe Journal of Physical Chemistry. B|February 21, 2017
Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common ModelsMarcello Sega, Christoph DellagoThe Journal of Physical Chemistry. B|February 6, 2008
Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: free energetics of an excess proton in a water dropletJürgen Köfinger, Christoph DellagoNano Letters|May 14, 2009
Nucleation and growth in structural transformations of nanocrystalsMichael Grünwald, Christoph DellagoPhysical Review Letters|February 7, 2007
Kinetics and mechanism of proton transport across membrane nanoporesChristoph Dellago, Gerhard HummerPhysical Review. B, Condensed Matter and Materials Physics|October 25, 2011
Microscopic properties of nanopore water from its time-dependent dielectric responseJürgen Köfinger, Christoph DellagoThe Journal of Chemical Physics|October 10, 2014
Folding mechanism of a polymer chain with short-range attractionsChristian Leitold, Christoph DellagoPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 12, 2003
Simulation strategies and signatures of chaos in classical nonlinear responseChristoph Dellago, Shaul MukamelJournal of Computational Chemistry|May 2, 2009
Efficient extraction of free energy profiles from nonequilibrium experimentsHarald Oberhofer, Christoph DellagoPageof 12