Marcus Elstner

27.3k total citations · 9 hit papers
229 papers, 21.5k citations indexed

About

Marcus Elstner is a scholar working on Atomic and Molecular Physics, and Optics, Molecular Biology and Electrical and Electronic Engineering. According to data from OpenAlex, Marcus Elstner has authored 229 papers receiving a total of 21.5k indexed citations (citations by other indexed papers that have themselves been cited), including 106 papers in Atomic and Molecular Physics, and Optics, 83 papers in Molecular Biology and 60 papers in Electrical and Electronic Engineering. Recurrent topics in Marcus Elstner's work include Spectroscopy and Quantum Chemical Studies (71 papers), Advanced Chemical Physics Studies (54 papers) and Photoreceptor and optogenetics research (52 papers). Marcus Elstner is often cited by papers focused on Spectroscopy and Quantum Chemical Studies (71 papers), Advanced Chemical Physics Studies (54 papers) and Photoreceptor and optogenetics research (52 papers). Marcus Elstner collaborates with scholars based in Germany, United States and China. Marcus Elstner's co-authors include Thomas Frauenheim, Sándor Suhai, Qiang Cui, Michael Gaus, Gotthard Seifert, Tomáš Kubař, J. Elsner, G. Jungnickel, D. Porezag and M. Haugk and has published in prestigious journals such as Science, Chemical Reviews and Proceedings of the National Academy of Sciences.

In The Last Decade

Marcus Elstner

222 papers receiving 21.3k citations

Hit Papers

Self-consistent-charge de... 1998 2026 2007 2016 1998 2001 2004 2011 2013 1000 2.0k 3.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties
    1998 3.3k citations Marcus Elstner et al. profile →
  2. Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment
    2001 902 citations Marcus Elstner et al. The Journal of Chemical Physics profile →
  3. The Retinal Conformation and its Environment in Rhodopsin in Light of a New 2.2 Å Crystal Structure
    2004 898 citations Marcus Elstner et al. profile →
  4. DFTB3: Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method (SCC-DFTB)
    2011 878 citations Marcus Elstner et al. Journal of Chemical Theory and Computation profile →
  5. Microbial and Animal Rhodopsins: Structures, Functions, and Molecular Mechanisms
    2013 870 citations Marcus Elstner et al. profile →
  6. Parametrization and Benchmark of DFTB3 for Organic Molecules
    2012 790 citations Marcus Elstner et al. Journal of Chemical Theory and Computation profile →
  7. A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method
    2000 519 citations Marcus Elstner et al. The Journal of Physical Chemistry B profile →
  8. Atomistic simulations of complex materials: ground-state and excited-state properties
    2002 458 citations Marcus Elstner, Thomas A. Niehaus et al. profile →
  9. Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
    2016 329 citations Tomáš Kubař, Marcus Elstner et al. profile →

Author Peers

Peers are selected by citation overlap in the author's most active subfields. citations · hero ref

Author Last Decade Papers Cites
Marcus Elstner 7.6k 7.6k 6.8k 4.0k 3.7k 229 21.5k
Villy Sundström 7.8k 1.0× 7.5k 1.0× 8.2k 1.2× 8.1k 2.1× 3.7k 1.0× 307 23.5k
Steven G. Boxer 8.4k 1.1× 14.7k 1.9× 3.6k 0.5× 2.3k 0.6× 4.0k 1.1× 352 24.1k
Todd J. Martı́nez 15.7k 2.1× 4.1k 0.5× 6.2k 0.9× 2.4k 0.6× 2.9k 0.8× 335 24.8k
Ursula Röthlisberger 5.7k 0.8× 3.9k 0.5× 9.2k 1.3× 6.1k 1.6× 1.0k 0.3× 320 21.8k
David N. Beratan 4.6k 0.6× 5.2k 0.7× 4.3k 0.6× 4.7k 1.2× 970 0.3× 271 16.9k
Gregory D. Scholes 14.3k 1.9× 7.9k 1.0× 15.1k 2.2× 14.4k 3.6× 4.5k 1.2× 458 35.3k
Jan H. Jensen 11.0k 1.5× 10.7k 1.4× 8.0k 1.2× 2.7k 0.7× 1.1k 0.3× 155 34.6k
Devens Gust 3.0k 0.4× 5.6k 0.7× 14.8k 2.2× 7.8k 2.0× 2.3k 0.6× 329 25.5k
Sharon Hammes‐Schiffer 7.8k 1.0× 6.0k 0.8× 5.5k 0.8× 3.0k 0.8× 694 0.2× 401 21.9k
Douglas J. Tobias 9.8k 1.3× 10.9k 1.4× 4.3k 0.6× 1.3k 0.3× 1.4k 0.4× 229 24.5k

Countries citing papers authored by Marcus Elstner

Since Specialization
Citations

This map shows the geographic impact of Marcus Elstner's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Marcus Elstner with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Marcus Elstner more than expected).

Fields of papers citing papers by Marcus Elstner

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Marcus Elstner. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Marcus Elstner. The network helps show where Marcus Elstner may publish in the future.

Co-authorship network of co-authors of Marcus Elstner

This figure shows the co-authorship network connecting the top 25 collaborators of Marcus Elstner. A scholar is included among the top collaborators of Marcus Elstner based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Marcus Elstner. Marcus Elstner is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Kleinekathöfer, Ulrich, et al.. (2025). Exciton Transfer Simulations in a Light-Harvesting 2 Complex Reveal the Transient Delocalization Mechanism. The Journal of Physical Chemistry B. 129(13). 3345–3365.
2.
3.
Elstner, Marcus, et al.. (2025). Complex active site structures influence absorption spectrum of Chrimson wild type and mutants. Physical Chemistry Chemical Physics. 27(25). 13360–13370. 1 indexed citations
4.
Elstner, Marcus, et al.. (2024). Effect of Halogen Substituents on Charge Transport Properties of n-type Organic Semiconductors: A Theoretical Study. The Journal of Physical Chemistry A. 128(41). 8878–8885.
5.
Xie, Weiwei, et al.. (2024). Theory for nonlinear conductivity switching in semiconducting organic ferroelectrics. Physical Chemistry Chemical Physics. 26(27). 18837–18846.
6.
Höfener, Sebastian, et al.. (2024). Non-adiabatic molecular dynamics simulations provide new insights into the exciton transfer in the Fenna–Matthews–Olson complex. Physical Chemistry Chemical Physics. 26(28). 19469–19496. 6 indexed citations
7.
Elstner, Marcus, et al.. (2024). Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients. Journal of Chemical Theory and Computation. 20(14). 6160–6174. 4 indexed citations
8.
Butera, Diego, Angelina J. Lay, Joyce Chiu, et al.. (2023). Disulfide bond reduction and exchange in C4 domain of von Willebrand factor undermines platelet binding. Journal of Thrombosis and Haemostasis. 21(8). 2089–2100. 4 indexed citations
9.
Reiser, Patrick, et al.. (2023). Modeling Charge Transport in Organic Semiconductors Using Neural Network Based Hamiltonians and Forces. Journal of Chemical Theory and Computation. 19(13). 3825–3838. 5 indexed citations
10.
Höfener, Sebastian, Christian Huck, Manuel Hertzog, et al.. (2023). Optical and electronic properties of different thin-film polymorphs of PDIF-CN2 controlled by zone-casting conditions. Journal of Materials Chemistry C. 11(30). 10185–10197. 4 indexed citations
11.
Symalla, Franz, et al.. (2023). Dynamic Effects on Hole Transport in Amorphous Organic Semiconductors: a Combined QM/MM and kMC Study. Journal of Chemical Theory and Computation. 19(13). 3849–3860. 8 indexed citations
12.
Witek, Henryk A., et al.. (2023). Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-binding. The Journal of Chemical Physics. 158(12). 124107–124107. 5 indexed citations
13.
Elstner, Marcus, et al.. (2022). Efficient Surface Hopping Approach for Modeling Charge Transport in Organic Semiconductors. Journal of Chemical Theory and Computation. 18(3). 1264–1274. 16 indexed citations
14.
Kubař, Tomáš, et al.. (2022). Unravelling the mechanism of glucose binding in a protein-based fluorescence probe: molecular dynamics simulation with a tailor-made charge model. Physical Chemistry Chemical Physics. 24(4). 2441–2453. 5 indexed citations
15.
16.
Haldar, Ritesh, Mariana Kozłowska, Samrat Ghosh, et al.. (2021). Interplay of structural dynamics and electronic effects in an engineered assembly of pentacene in a metal–organic framework. Chemical Science. 12(12). 4477–4483. 25 indexed citations
17.
Hoffmann, Marvin, et al.. (2021). Geometry dependence of excitonic couplings and the consequences for configuration‐space sampling. Journal of Computational Chemistry. 42(20). 1402–1418. 11 indexed citations
18.
Prajapati, Jigneshkumar Dahyabhai, et al.. (2020). DFTB/MM Molecular Dynamics Simulations of the FMO Light-Harvesting Complex. The Journal of Physical Chemistry Letters. 11(20). 8660–8667. 44 indexed citations
19.
Wanko, Marius, et al.. (2020). Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes. Physical Chemistry Chemical Physics. 22(19). 10500–10518. 44 indexed citations
20.
Höfener, Sebastian, et al.. (2019). Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2. The Journal of Physical Chemistry A. 123(21). 4581–4587. 3 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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