Andreas Singraber

1.1k total citations · 1 hit paper
10 papers, 800 citations indexed

About

Andreas Singraber is a scholar working on Materials Chemistry, Atomic and Molecular Physics, and Optics and Molecular Biology. According to data from OpenAlex, Andreas Singraber has authored 10 papers receiving a total of 800 indexed citations (citations by other indexed papers that have themselves been cited), including 6 papers in Materials Chemistry, 4 papers in Atomic and Molecular Physics, and Optics and 2 papers in Molecular Biology. Recurrent topics in Andreas Singraber's work include Machine Learning in Materials Science (5 papers), Spectroscopy and Quantum Chemical Studies (3 papers) and Protein Structure and Dynamics (2 papers). Andreas Singraber is often cited by papers focused on Machine Learning in Materials Science (5 papers), Spectroscopy and Quantum Chemical Studies (3 papers) and Protein Structure and Dynamics (2 papers). Andreas Singraber collaborates with scholars based in Austria, Germany and United States. Andreas Singraber's co-authors include Christoph Dellago, Jörg Behler, Tobias Morawietz, Tobias Morawietz, Swetlana Jungblut, L. Lavoura, Walter Grimus, Ferenc Karsai, Peitao Liu and Xing‐Qiu Chen and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Physical Review Letters and The Journal of Chemical Physics.

In The Last Decade

Andreas Singraber

10 papers receiving 791 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.

How van der Waals interactions determine the unique properties of water

2016 321 citations Tobias Morawietz, Andreas Singraber et al. Proceedings of the National Academy of Sciences profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Andreas Singraber Austria	8	579	255	126	92	91	10	800
Brian Kolb United States	16	518 0.9×	268 1.1×	94 0.7×	59 0.6×	55 0.6×	18	753
Edgar A. Engel United Kingdom	11	425 0.7×	239 0.9×	93 0.7×	78 0.8×	61 0.7×	16	644
Christoph Schran United Kingdom	16	382 0.7×	319 1.3×	76 0.6×	63 0.7×	184 2.0×	31	744
Xueyao Zhou China	17	518 0.9×	573 2.2×	61 0.5×	53 0.6×	58 0.6×	35	826
Sönke Lorenz Germany	5	500 0.9×	324 1.3×	93 0.7×	78 0.8×	34 0.4×	6	686
Daniela Polino Italy	15	298 0.5×	198 0.8×	43 0.3×	67 0.7×	82 0.9×	21	673
Jinzhe Zeng United States	13	845 1.5×	191 0.7×	218 1.7×	250 2.7×	134 1.5×	19	1.3k
Maximilien Levesque France	17	241 0.4×	233 0.9×	73 0.6×	111 1.2×	156 1.7×	28	659
Richard A. Messerly United States	15	515 0.9×	152 0.6×	154 1.2×	121 1.3×	338 3.7×	41	969
Andreas Pedersen Iceland	15	588 1.0×	292 1.1×	48 0.4×	44 0.5×	121 1.3×	26	1.0k

Countries citing papers authored by Andreas Singraber

Since Specialization

Citations

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

Fields of papers citing papers by Andreas Singraber

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Andreas Singraber

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

All Works

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10 of 10 papers shown

1.

Singraber, Andreas, et al.. (2025). Iterative charge equilibration for fourth-generation high-dimensional neural network potentials. The Journal of Chemical Physics. 162(12). 3 indexed citations

2.

Liu, Peitao, Jian-Tao Wang, Carla Verdi, et al.. (2023). Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111). Physical Review Letters. 130(7). 78001–78001. 35 indexed citations

3.

Singraber, Andreas, Tobias Morawietz, Jörg Behler, & Christoph Dellago. (2019). Parallel Multistream Training of High-Dimensional Neural Network Potentials. Journal of Chemical Theory and Computation. 15(5). 3075–3092. 158 indexed citations

4.

Singraber, Andreas, Jörg Behler, & Christoph Dellago. (2019). Library-Based LAMMPS Implementation of High-Dimensional Neural Network Potentials. Journal of Chemical Theory and Computation. 15(3). 1827–1840. 214 indexed citations

5.

Singraber, Andreas, Tobias Morawietz, Jörg Behler, & Christoph Dellago. (2018). Density anomaly of water at negative pressures from first principles. Journal of Physics Condensed Matter. 30(25). 254005–254005. 15 indexed citations

6.

Singraber, Andreas. (2018). CompPhysVienna/n2p2: Neural network potential package 1.0.0. Zenodo (CERN European Organization for Nuclear Research). 3 indexed citations

7.

Morawietz, Tobias, Andreas Singraber, Christoph Dellago, & Jörg Behler. (2016). How van der Waals interactions determine the unique properties of water. Proceedings of the National Academy of Sciences. 113(30). 8368–8373. 321 indexed citations breakdown →

8.

Singraber, Andreas, et al.. (2016). S-shooting: a Bennett–Chandler-like method for the computation of rate constants from committor trajectories. Faraday Discussions. 195. 345–364. 11 indexed citations

9.

Jungblut, Swetlana, Andreas Singraber, & Christoph Dellago. (2013). Optimising reaction coordinates for crystallisation by tuning the crystallinity definition. Molecular Physics. 111(22-23). 3527–3533. 24 indexed citations

10.

Grimus, Walter, L. Lavoura, & Andreas Singraber. (2010). Trimaximal lepton mixing with a trivial Dirac phase. Physics Letters B. 686(2-3). 141–145. 16 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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