Thomas A. Niehaus

6.2k total citations · 1 hit paper
110 papers, 4.1k citations indexed

About

Thomas A. Niehaus is a scholar working on Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering and Materials Chemistry. According to data from OpenAlex, Thomas A. Niehaus has authored 110 papers receiving a total of 4.1k indexed citations (citations by other indexed papers that have themselves been cited), including 63 papers in Atomic and Molecular Physics, and Optics, 50 papers in Electrical and Electronic Engineering and 44 papers in Materials Chemistry. Recurrent topics in Thomas A. Niehaus's work include Spectroscopy and Quantum Chemical Studies (35 papers), Advanced Chemical Physics Studies (35 papers) and Molecular Junctions and Nanostructures (30 papers). Thomas A. Niehaus is often cited by papers focused on Spectroscopy and Quantum Chemical Studies (35 papers), Advanced Chemical Physics Studies (35 papers) and Molecular Junctions and Nanostructures (30 papers). Thomas A. Niehaus collaborates with scholars based in Germany, France and Hong Kong. Thomas A. Niehaus's co-authors include Thomas Frauenheim, Marcus Elstner, Sándor Suhai, Gotthard Seifert, Fabio Della Sala, Aldo Di Carlo, Mario Barbatti, Christof Köhler, Bálint Aradi and Walter Thiel and has published in prestigious journals such as Physical Review Letters, Nature Communications and The Journal of Chemical Physics.

In The Last Decade

Thomas A. Niehaus

106 papers receiving 4.0k citations

Hit Papers

1 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.

Atomistic simulations of complex materials: ground-state and excited-state properties

2002 458 citations Thomas Frauenheim, Marcus Elstner et al. profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Thomas A. Niehaus Germany	34	2.2k	1.6k	1.4k	753	529	110	4.1k
WanZhen Liang China	32	1.6k 0.7×	1.1k 0.7×	1.3k 0.9×	709 0.9×	257 0.5×	149	3.2k
Adam P. Willard United States	30	1.5k 0.7×	1.0k 0.6×	1.5k 1.1×	396 0.5×	534 1.0×	77	4.1k
Beate Paulus Germany	36	2.1k 1.0×	2.1k 1.3×	793 0.6×	482 0.6×	358 0.7×	233	4.4k
Susumu Yanagisawa Japan	20	1.3k 0.6×	1.4k 0.8×	1.1k 0.8×	690 0.9×	305 0.6×	65	3.1k
David F. Kelley United States	40	2.9k 1.4×	1.5k 0.9×	1.9k 1.3×	1.4k 1.8×	420 0.8×	144	4.8k
Yi Zhao China	36	1.8k 0.8×	1.8k 1.1×	1.8k 1.3×	817 1.1×	274 0.5×	252	5.4k
M. Haugk Germany	15	2.0k 0.9×	1.5k 0.9×	1.2k 0.8×	389 0.5×	337 0.6×	27	4.1k
J. Elsner Germany	15	2.3k 1.1×	1.6k 1.0×	1.3k 0.9×	394 0.5×	387 0.7×	22	4.5k
Barry D. Dunietz United States	33	1.3k 0.6×	1.3k 0.8×	1.3k 0.9×	727 1.0×	179 0.3×	108	3.7k
Michitoshi Hayashi Taiwan	34	1.5k 0.7×	1.8k 1.1×	1.2k 0.9×	723 1.0×	308 0.6×	217	4.1k

Countries citing papers authored by Thomas A. Niehaus

Since Specialization

Citations

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

Fields of papers citing papers by Thomas A. Niehaus

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Thomas A. Niehaus. 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 Thomas A. Niehaus. The network helps show where Thomas A. Niehaus may publish in the future.

Co-authorship network of co-authors of Thomas A. Niehaus

This figure shows the co-authorship network connecting the top 25 collaborators of Thomas A. Niehaus. A scholar is included among the top collaborators of Thomas A. Niehaus 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 Thomas A. Niehaus. Thomas A. Niehaus 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

Mahler, Benoît, Thomas A. Niehaus, Christophe Dujardin, et al.. (2025). Upcycling polyethersulfones to luminescent materials by aminolysis. Polymer Chemistry. 16(10). 1139–1145.

Wang, Qing, M. H. Gu, Carine Michel, et al.. (2025). Development of a Transferable Density-Functional Tight-Binding Model for Organic Molecules at the Water/Platinum Interface. Journal of Chemical Theory and Computation. 21(10). 5267–5278. 1 indexed citations

Niehaus, Thomas A., et al.. (2024). THz to far-infrared spectra of the known crystal polymorphs of phenylalanine. Physical Chemistry Chemical Physics. 26(9). 7329–7334.

Heide, Tammo van der, B. Hourahine, Bálint Aradi, Thomas Frauenheim, & Thomas A. Niehaus. (2024). Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight binding. Physical review. B.. 109(24). 3 indexed citations

Aradi, Bálint, et al.. (2024). Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors. Journal of Chemical Theory and Computation. 20(23). 10602–10614. 3 indexed citations

Heide, Tammo van der, Bálint Aradi, B. Hourahine, Thomas Frauenheim, & Thomas A. Niehaus. (2023). Hybrid functionals for periodic systems in the density functional tight-binding method. Physical Review Materials. 7(6). 6 indexed citations

Tabatabaei, F. S., Ute Drechsler, Thomas A. Niehaus, et al.. (2023). Full thermoelectric characterization of a single molecule. Nature Communications. 14(1). 3868–3868. 25 indexed citations

Kranz, Julian, et al.. (2021). Analytical Time-Dependent Long-Range Corrected Density Functional Tight Binding (TD-LC-DFTB) Gradients in DFTB+: Implementation and Benchmark for Excited-State Geometries and Transition Energies. Journal of Chemical Theory and Computation. 17(4). 2266–2282. 16 indexed citations

Hofbeck, Thomas, Thomas A. Niehaus, Μ. Fleck, Uwe Monkowius, & Hartmut Yersin. (2021). P∩N Bridged Cu(I) Dimers Featuring Both TADF and Phosphorescence. From Overview towards Detailed Case Study of the Excited Singlet and Triplet States. Molecules. 26(11). 3415–3415. 17 indexed citations

10.

Niehaus, Thomas A.. (2020). Ground-to-excited derivative couplings for the density functional based\n tight-binding method: Semi-local and long-range corrected formulations. arXiv (Cornell University). 5 indexed citations

11.

Marciniak, A., Kaoru Yamazaki, Satoshi Maeda, et al.. (2018). Ultrafast Nonadiabatic Cascade and Subsequent Photofragmentation of Extreme Ultraviolet Excited Caffeine Molecule. The Journal of Physical Chemistry Letters. 9(24). 6927–6933. 7 indexed citations

12.

Alaei, Mojtaba, et al.. (2018). New candidates for the global minimum of medium-sized silicon clusters: A hybrid DFTB/DFT genetic algorithm applied to Sin, n = 8-80. The Journal of Chemical Physics. 149(7). 74313–74313. 11 indexed citations

13.

Hanasaki, Kota, Manabu Kanno, Thomas A. Niehaus, & Hirohiko Kono. (2018). An efficient approximate algorithm for nonadiabatic molecular dynamics. The Journal of Chemical Physics. 149(24). 244117–244117. 10 indexed citations

14.

Stojanović, Ljiljana, Saadullah G. Aziz, Rifaat Hilal, et al.. (2017). Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping. Journal of Chemical Theory and Computation. 13(12). 5846–5860. 54 indexed citations

15.

Bian, Juncao, Jianfu Li, Sergii Kalytchuk, et al.. (2015). Efficient Emission Facilitated by Multiple Energy Level Transitions in Uniform Graphitic Carbon Nitride Films Deposited by Thermal Vapor Condensation. ChemPhysChem. 16(5). 954–959. 82 indexed citations

16.

Heck, Alexander, P. Benjamin Woiczikowski, Tomáš Kubař, et al.. (2014). Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals. The Journal of Physical Chemistry B. 118(16). 4261–4272. 17 indexed citations

17.

Yan, Meng, Qi Wu, Lei Chen, et al.. (2013). Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments. Nanoscale. 5(24). 12178–12178. 14 indexed citations

18.

Frauenheim, Thomas, et al.. (2008). Anomalous size dependence of the luminescence in reconstructed silicon nanoparticles. Applied Physics Letters. 93(24). 17 indexed citations

19.

Wang, Xuan, R. Q. Zhang, S. T. Lee, Thomas A. Niehaus, & Thomas Frauenheim. (2007). Unusual size dependence of the optical emission gap in small hydrogenated silicon nanoparticles. Applied Physics Letters. 90(12). 49 indexed citations

20.

Torralva, Ben, Thomas A. Niehaus, Marcus Elstner, et al.. (2001). Response ofC60andCnto ultrashort laser pulses. Physical review. B, Condensed matter. 64(15). 63 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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