Andreas Dreuw

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Stable and Accurate Orbital-Free DFT Powered by Machine Learning.
CoRR
Roman Remme, Tobias Kaczun, Tim Ebert, Christof A. Gehrig, Dominik Geng, Gerrit Gerhartz, Marc K. Ickler, Manuel V. Klockow, Peter Lippmann, Johannes S. Schmidt, Simon Wagner, Andreas Dreuw, Fred A. Hamprecht
2025 J jnl
The Relation Between the Excited Electronic States of Acene Radical Cations and Neutrals - A Computational Analysis.
J. Comput. Chem.
Anna M. Weidlich, Andreas Dreuw
2023 J jnl
KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory.
CoRR
Roman Remme, Tobias Kaczun, Maximilian Scheurer, Andreas Dreuw, Fred A. Hamprecht
2021 J jnl
Deciphering excited state properties utilizing algebraic diagrammatic construction schemes of decreasing order.
J. Comput. Chem.
Marvin Hoffmann, Andreas Dreuw
2021 J jnl
Geometry dependence of excitonic couplings and the consequences for configuration-space sampling.
J. Comput. Chem.
Nils Schieschke, Beatrix M. Bold, Philipp M. Dohmen, Daniel Wehl, Marvin Hoffmann, Andreas Dreuw, Marcus Elstner, Sebastian Höfener
2017 J jnl
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.
Chong Yang, Andreas Dreuw
2015 J jnl
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation.
J. Comput. Chem.
Felix Plasser, Benjamin Thomitzni, Stefanie A. Bäppler, Jan Wenzel, Dirk R. Rehn, Michael Wormit, Andreas Dreuw
2014 J jnl
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.
Jan Wenzel, Michael Wormit, Andreas Dreuw
2013 J jnl
New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations.
J. Comput. Chem.
Evgeny Epifanovsky, Michael Wormit, Tomasz Kus, Arie Landau, Dmitry Zuev, Kirill Khistyaev, Prashant Manohar, Ilya Kaliman, Andreas Dreuw, Anna I. Krylov
2012 J jnl
Computational design of improved two-photon active caging compounds based on nitrodibenzofuran.
J. Comput. Chem.
Andreas Dreuw, Matthias A. Polkehn, Robert Binder, Alexander Heckel, Stefan Knippenberg
2011 J jnl
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.
Wenlan Liu, Volker Settels, Philipp H. P. Harbach, Andreas Dreuw, Reinhold F. Fink, Bernd Engels