Dipole moment of water molecules in narrow pores. - Christoph Dellago; Mor M. Naor (Comput. Phys. Commun., 2005)

Optimum bias for fast-switching free energy calculations. - Harald Oberhofer; Christoph Dellago (Comput. Phys. Commun., 2008)

Efficient extraction of free energy profiles from nonequilibrium experiments. - Harald Oberhofer; Christoph Dellago (J. Comput. Chem., 2009)

Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics. - Christoph Dellago; Gerhard Hummer (Entropy, 2014)

Improved description of atomic environments using low-cost polynomial functions with compact support. - Martin P. Bircher; Andreas Singraber; Christoph Dellago (Mach. Learn. Sci. Technol., 2021)

Conditioning Normalizing Flows for Rare Event Sampling. - Sebastian Falkner; Alessandro Coretti; Salvatore Romano; Phillip L. Geissler; Christoph Dellago (CoRR, 2022)

Enhanced Sampling of Configuration and Path Space in a Generalized Ensemble by Shooting Point Exchange. - Sebastian Falkner; Alessandro Coretti; Christoph Dellago (CoRR, 2023)

Machine-guided path sampling to discover mechanisms of molecular self-organization. - Hendrik Jung; Roberto Covino; A. Arjun; Christian Leitold; Christoph Dellago; Peter G. Bolhuis; Gerhard Hummer (Nat. Comput. Sci., 2023)

Conditioning Boltzmann generators for rare event sampling. - Sebastian Falkner; Alessandro Coretti; Salvatore Romano; Phillip L. Geissler; Christoph Dellago (Mach. Learn. Sci. Technol., 2023)