Volker Settels

2.9k total citations · 1 hit paper
22 papers, 1.8k citations indexed

About

Volker Settels is a scholar working on Materials Chemistry, Physical and Theoretical Chemistry and Atomic and Molecular Physics, and Optics. According to data from OpenAlex, Volker Settels has authored 22 papers receiving a total of 1.8k indexed citations (citations by other indexed papers that have themselves been cited), including 11 papers in Materials Chemistry, 8 papers in Physical and Theoretical Chemistry and 7 papers in Atomic and Molecular Physics, and Optics. Recurrent topics in Volker Settels's work include Photochemistry and Electron Transfer Studies (7 papers), Photoreceptor and optogenetics research (6 papers) and Spectroscopy and Quantum Chemical Studies (6 papers). Volker Settels is often cited by papers focused on Photochemistry and Electron Transfer Studies (7 papers), Photoreceptor and optogenetics research (6 papers) and Spectroscopy and Quantum Chemical Studies (6 papers). Volker Settels collaborates with scholars based in Germany, United States and United Kingdom. Volker Settels's co-authors include Bernd Engels, Philipp Eiden, Brian Kelley, Miriam Mathea, Hua Gao, Regina Barzilay, Tommi Jaakkola, Klavs F. Jensen, Kevin Yang and Andrew Palmer and has published in prestigious journals such as Journal of the American Chemical Society, Angewandte Chemie International Edition and The Journal of Chemical Physics.

In The Last Decade

Volker Settels

21 papers receiving 1.8k citations

Hit Papers

align trajectories

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.

Analyzing Learned Molecular Representations for Property Prediction

2019 1.1k citations Kevin Yang, Kyle Swanson et al. Journal of Chemical Information and Modeling profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Volker Settels Germany	15	1000	894	565	400	273	22	1.8k
Álvaro Vázquez‐Mayagoitia United States	21	1.0k 1.0×	326 0.4×	185 0.3×	418 1.0×	213 0.8×	45	1.6k
Jorge Aguilera‐Iparraguirre United States	12	1.1k 1.1×	879 1.0×	586 1.0×	226 0.6×	92 0.3×	15	1.9k
Tristan Bereau Germany	23	743 0.7×	193 0.2×	870 1.5×	165 0.4×	119 0.4×	76	1.8k
Michael Gastegger Germany	14	1.7k 1.7×	877 1.0×	583 1.0×	227 0.6×	160 0.6×	24	2.2k
Steven V. Jerome United States	12	450 0.5×	430 0.5×	625 1.1×	152 0.4×	153 0.6×	18	1.7k
David Rinaldo United States	9	483 0.5×	263 0.3×	556 1.0×	250 0.6×	125 0.5×	13	1.9k
Johannes Hachmann United States	15	941 0.9×	341 0.4×	140 0.2×	541 1.4×	147 0.5×	25	1.7k
Ming‐Ju Huang China	26	896 0.9×	183 0.2×	322 0.6×	340 0.8×	137 0.5×	151	2.1k
Martin Korth Germany	23	540 0.5×	184 0.2×	372 0.7×	543 1.4×	362 1.3×	36	2.1k
Matthias Stein Germany	36	849 0.8×	148 0.2×	747 1.3×	477 1.2×	165 0.6×	140	3.6k

Countries citing papers authored by Volker Settels

Since Specialization

Citations

This map shows the geographic impact of Volker Settels'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 Volker Settels with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Volker Settels more than expected).

Fields of papers citing papers by Volker Settels

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Volker Settels. 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 Volker Settels. The network helps show where Volker Settels may publish in the future.

Co-authorship network of co-authors of Volker Settels

This figure shows the co-authorship network connecting the top 25 collaborators of Volker Settels. A scholar is included among the top collaborators of Volker Settels 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 Volker Settels. Volker Settels is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Kalita, Bhupalee, R.I. Zubatyuk, Dylan M. Anstine, et al.. (2025). AIMNet2‐NSE: A Transferable Reactive Neural Network Potential for Open‐Shell Chemistry. Angewandte Chemie International Edition. 65(5). e16763–e16763.

Pattanaik, Lagnajit, Angiras Menon, Volker Settels, et al.. (2023). ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents. The Journal of Physical Chemistry B. 127(47). 10151–10170. 9 indexed citations

Settels, Volker, et al.. (2022). Automated input structure generation for single‐ended reaction path optimizations. Journal of Computational Chemistry. 43(24). 1662–1674. 3 indexed citations

Herzog, Bernd, Johannes M. Giesinger, & Volker Settels. (2020). Insights into the stabilization of photolabile UV-absorbers in sunscreens. Photochemical & Photobiological Sciences. 19(12). 1636–1649. 15 indexed citations

Yang, Kevin, Kyle Swanson, Wengong Jin, et al.. (2019). Correction to Analyzing Learned Molecular Representations for Property Prediction. Journal of Chemical Information and Modeling. 59(12). 5304–5305. 25 indexed citations

Yang, Kevin, Kyle Swanson, Wengong Jin, et al.. (2019). Analyzing Learned Molecular Representations for Property Prediction. Journal of Chemical Information and Modeling. 59(8). 3370–3388. 1081 indexed citations breakdown →

Galbraith, M. C. E., et al.. (2018). Comparison of the periodic slab approach with the finite cluster description of metal–organic interfaces at the example of PTCDA on Ag(110). Journal of Computational Chemistry. 39(14). 844–852. 19 indexed citations

Ferkl, Pavel, Erik Laurini, Sabrina Pricl, et al.. (2017). Multi-scale modelling of heat transfer in polyurethane foams. Chemical Engineering Science. 172. 323–334. 30 indexed citations

Settels, Volker, et al.. (2016). Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials. Journal of Computational Chemistry. 37(17). 1601–1610. 14 indexed citations

10.

Liu, Wenlan, et al.. (2015). A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems. The Journal of Chemical Physics. 143(8). 84106–84106. 31 indexed citations

11.

Schubert, Alexander, Volker Settels, Stefan Lochbrunner, et al.. (2014). Theoretical Analysis of the Relaxation Dynamics in Perylene Bisimide Dimers Excited by Femtosecond Laser Pulses. The Journal of Physical Chemistry A. 118(8). 1403–1412. 37 indexed citations

12.

Nuernberger, Patrick, Volker Dehm, Volker Settels, et al.. (2013). Similarities and Differences in the Optical Response of Perylene‐Based Hetero‐Bichromophores and Their Monomeric Units. ChemPhysChem. 14(7). 1413–1422. 8 indexed citations

13.

Jiménez, Ángel J., Mei‐Jin Lin, Christian Burschka, et al.. (2013). Structure–property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state. Chemical Science. 5(2). 608–619. 97 indexed citations

14.

Schubert, Alexander, Volker Settels, Wenlan Liu, et al.. (2013). Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates. The Journal of Physical Chemistry Letters. 4(5). 792–796. 122 indexed citations

15.

Settels, Volker. (2012). Quantum chemical description of ultrafast exciton self-trapping in perylene based materials. Online Publication Service of Würzburg University (Würzburg University). 1 indexed citations

16.

Settels, Volker, Wenlan Liu, Jens Pflaum, Reinhold F. Fink, & Bernd Engels. (2012). Comparison of the electronic structure of different perylene‐based dye‐aggregates. Journal of Computational Chemistry. 33(18). 1544–1553. 55 indexed citations

17.

Liu, Wenlan, Volker Settels, Philipp H. P. Harbach, et al.. (2011). 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. Journal of Computational Chemistry. 32(9). 1971–1981. 68 indexed citations

18.

Zhao, Hongmei, Johannes Pfister, Volker Settels, et al.. (2009). Understanding Ground- and Excited-State Properties of Perylene Tetracarboxylic Acid Bisimide Crystals by Means of Quantum Chemical Computations. Journal of the American Chemical Society. 131(43). 15660–15668. 100 indexed citations

19.

Ellis, David, Stefan Erhardt, Ruaraidh D. McIntosh, et al.. (2007). The Conformations of 13-Vertex ML₂C₂B₁₀ Metallacarboranes: Experimental and Computational Studies. Journal of the American Chemical Society. 129(11). 3302–3314. 12 indexed citations

20.

Donald, Steven M. A., Stuart A. Macgregor, Volker Settels, David J. Cole‐Hamilton, & Graham R. Eastham. (2007). A computational study of the methanolysis of palladium–acyl bonds. Chemical Communications. 562–564. 34 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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