Andreas Dreuw
Affiliations: | 2001 | Ruprecht-Karls-Universität Heidelberg, Heidelberg, Baden-Württemberg, Germany |
Website:
https://wwwagdreuw.iwr.uni-heidelberg.de/andreas_dreuw.phpGoogle:
"Andreas Dreuw"Bio:
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Parents
Sign in to add mentorLorenz S. Cederbaum | grad student | 2001 | Universität Heidelberg | |
(Ungewöhnliche durch Elektrostatik und Spin stabilisierte anionische Systeme) | ||||
Martin Head-Gordon | post-doc | 2001-2003 | UC Berkeley | |
Gerhard Stock | post-doc | 2007 | Goethe-Universität Frankfurt | |
(Habilitationsschrift: Quantum chemical methods for the description of large and medium-sized molecules) |
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Publications
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Kefer O, Ahrens L, Han J, et al. (2023) Efficient Intramolecular Singlet Fission in Spiro-Linked Heterodimers. Journal of the American Chemical Society |
Dreuw A, Papapostolou A, Dempwolff AL. (2023) Algebraic Diagrammatic Construction Schemes Employing the Intermediate State Formalism: Theory, Capabilities, and Interpretation. The Journal of Physical Chemistry. A. 127: 6635-6646 |
Kaczun T, Dempwolff AL, Huang X, et al. (2023) Tuning UV Pump X-ray Probe Spectroscopy on the Nitrogen K Edge Reveals the Radiationless Relaxation of Pyrazine: Simulations Using the Quasiclassical Doorway-Window Approximation. The Journal of Physical Chemistry Letters. 14: 5648-5656 |
Bauer M, Dreuw A. (2023) Perturbation theoretical approaches to strong light-matter coupling in ground and excited electronic states for the description of molecular polaritons. The Journal of Chemical Physics. 158: 124128 |
Kulahlioglu AH, Dreuw A. (2023) The Multistate Quantum Monte Carlo Algebraic Diagrammatic Construction Method. The Journal of Physical Chemistry. A. 127: 2161-2175 |
Hodecker M, Dempwolff AL, Schirmer J, et al. (2022) Theoretical analysis and comparison of unitary coupled-cluster and algebraic-diagrammatic construction methods for ionization. The Journal of Chemical Physics. 156: 074104 |
Smith DGA, Lolinco AT, Glick ZL, et al. (2021) Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of Chemical Physics. 155: 204801 |
Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
Brumboiu IE, Rehn DR, Dreuw A, et al. (2021) Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework. The Journal of Chemical Physics. 155: 044106 |
Schieschke N, Bold BM, Dohmen PM, et al. (2021) Geometry dependence of excitonic couplings and the consequences for configuration-space sampling. Journal of Computational Chemistry. 42: 1402-1418 |