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ConfRank plus : Extending Conformer Ranking to Charged Molecules

Rick Oerder, Christian Hölzer, Jan Hamaekers

Jan 1, 2025

Coupled-channel contributions to the GDH sum rule from the Jülich-Bonn approach

Carolin Schneider, Deborah Rönchen, Christoph Hanhart, Ulf-G. Meißner

Jan 1, 2025

Dynamics in Hamiltonian Lattice Gauge Theory: Approaching the Continuum Limit with Partitionings of SU$(2)$,

Timo Jakobs, Marco Garofalo, Tobias Hartung, Karl Jansen, Johann Ostmeyer, Simone Romiti, Carsten Urbach

Jan 1, 2025

Dynamics in Hamiltonian Lattice Gauge Theory: Approaching the Continuum Limit with Partitionings of SU$(2)$,

Timo Jakobs, Marco Garofalo, Tobias Hartung, Karl Jansen, Johann Ostmeyer, Simone Romiti, Carsten Urbach

Jan 1, 2025

Efficient Implementation of Approximate Fourth Order N-Electron Valence State Perturbation Theory

Emily M. Kempfer, Kantharuban Sivalingam, Frank Neese

Jan 1, 2025

Energy efficiency trends in HPC: what high-energy and astrophysicists need to know,

Estela Suarez, Jorge Amaya, Martin Frank, Oliver Freyermuth, Maria Girone, Bartosz Kostrzewa, Susanne Pfalzner

Jan 1, 2025

Exclusion of a diquark-antidiquark structure for the lightest positive-parity charmed mesons,

Eric B. Gregory, Feng-Kun Guo, Christoph Hanhart, Stefan Krieg, Thomas Luu

Jan 1, 2025

Explicit Modeling of Electronic Polarization Reveals Water-Mediated Screening of Ion Adsorption at Hexagonal Boron Nitride Interfaces

Shuang Luo, Rahul Prasanna Misra, Alan Sam, Tom Froembgen, Barbara Kirchner, Daniel Blankschtein

Jan 1, 2025

Exponential speed up in Monte Carlo sampling through radial updates,

Johann Ostmeyer

Jan 1, 2025

Flow-Based Sampling for Entanglement Entropy and the Machine Learning of Defects,

Andrea Bulgarelli, Elia Cellini, Karl Jansen, Stefan Kuhn, Alessandro Nada, Shinichi Nakajima, Kim A. Nicoli, Marco Panero

Jan 1, 2025