Christoph Dellago

Publication Activity (10 Years)

Years Active: 2005-2023
Publications (10 Years): 5

Top Topics

Molecular Dynamics

Top Venues

Mach. Learn. Sci. Technol.

Nat. Comput. Sci.

Publications

Hendrik Jung, Roberto Covino, A. Arjun, Christian Leitold, Christoph Dellago, Peter G. Bolhuis, Gerhard Hummer
Machine-guided path sampling to discover mechanisms of molecular self-organization. Nat. Comput. Sci. 3 (4) (2023)
Sebastian Falkner, Alessandro Coretti, Christoph Dellago
Enhanced Sampling of Configuration and Path Space in a Generalized Ensemble by Shooting Point Exchange. CoRR (2023)
Sebastian Falkner, Alessandro Coretti, Salvatore Romano, Phillip L. Geissler, Christoph Dellago
Conditioning Boltzmann generators for rare event sampling. Mach. Learn. Sci. Technol. 4 (3) (2023)
Sebastian Falkner, Alessandro Coretti, Salvatore Romano, Phillip Geissler, Christoph Dellago
Conditioning Normalizing Flows for Rare Event Sampling. CoRR (2022)
Martin P. Bircher, Andreas Singraber, Christoph Dellago
Improved description of atomic environments using low-cost polynomial functions with compact support. Mach. Learn. Sci. Technol. 2 (3) (2021)
Christoph Dellago, Gerhard Hummer
Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics. Entropy 16 (1) (2014)
Harald Oberhofer, Christoph Dellago
Efficient extraction of free energy profiles from nonequilibrium experiments. J. Comput. Chem. 30 (11) (2009)
Harald Oberhofer, Christoph Dellago
Optimum bias for fast-switching free energy calculations. Comput. Phys. Commun. 179 (1-3) (2008)
Christoph Dellago, Mor M. Naor
Dipole moment of water molecules in narrow pores. Comput. Phys. Commun. 169 (1-3) (2005)