Andreas Dreuw

Publication Activity (10 Years)

Years Active: 2011-2023
Publications (10 Years): 4

Top Topics

Energy Function

Spatial Location

Top Venues

J. Comput. Chem.

Publications

Roman Remme, Tobias Kaczun, Maximilian Scheurer, Andreas Dreuw, Fred A. Hamprecht
KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory. CoRR (2023)
Marvin Hoffmann, Andreas Dreuw
Deciphering excited state properties utilizing algebraic diagrammatic construction schemes of decreasing order. J. Comput. Chem. 42 (11) (2021)
Nils Schieschke, Beatrix M. Bold, Philipp M. Dohmen, Daniel Wehl, Marvin Hoffmann, Andreas Dreuw, Marcus Elstner, Sebastian Höfener
Geometry dependence of excitonic couplings and the consequences for configuration-space sampling. J. Comput. Chem. 42 (20) (2021)
Chong Yang, Andreas Dreuw
Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations. J. Comput. Chem. 38 (17) (2017)
Felix Plasser, Benjamin Thomitzni, Stefanie A. Bäppler, Jan Wenzel, Dirk R. Rehn, Michael Wormit, Andreas Dreuw
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation. J. Comput. Chem. 36 (21) (2015)
Jan Wenzel, Michael Wormit, Andreas Dreuw
Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator. J. Comput. Chem. 35 (26) (2014)
Evgeny Epifanovsky, Michael Wormit, Tomasz Kus, Arie Landau, Dmitry Zuev, Kirill Khistyaev, Prashant Manohar, Ilya Kaliman, Andreas Dreuw, Anna I. Krylov
New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations. J. Comput. Chem. 34 (26) (2013)
Andreas Dreuw, Matthias A. Polkehn, Robert Binder, Alexander Heckel, Stefan Knippenberg
Computational design of improved two-photon active caging compounds based on nitrodibenzofuran. J. Comput. Chem. 33 (22) (2012)
Wenlan Liu, Volker Settels, Philipp H. P. Harbach, Andreas Dreuw, Reinhold F. Fink, Bernd Engels
Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates. J. Comput. Chem. 32 (9) (2011)