Jürg Hutter

49.7k total citations · 14 hit papers
194 papers, 37.4k citations indexed

About

Jürg Hutter is a scholar working on Atomic and Molecular Physics, and Optics, Materials Chemistry and Spectroscopy. According to data from OpenAlex, Jürg Hutter has authored 194 papers receiving a total of 37.4k indexed citations (citations by other indexed papers that have themselves been cited), including 121 papers in Atomic and Molecular Physics, and Optics, 69 papers in Materials Chemistry and 33 papers in Spectroscopy. Recurrent topics in Jürg Hutter's work include Advanced Chemical Physics Studies (82 papers), Spectroscopy and Quantum Chemical Studies (75 papers) and Graphene research and applications (23 papers). Jürg Hutter is often cited by papers focused on Advanced Chemical Physics Studies (82 papers), Spectroscopy and Quantum Chemical Studies (75 papers) and Graphene research and applications (23 papers). Jürg Hutter collaborates with scholars based in Switzerland, Germany and United States. Jürg Hutter's co-authors include Joost VandeVondele, Stefan Goedecker, Michele Parrinello, M. P. Teter, Dominik Marx, Marcella Iannuzzi, Matthias Krack, Fawzi Mohamed, Florian Schiffmann and Michiel Sprik and has published in prestigious journals such as Nature, Science and Proceedings of the National Academy of Sciences.

In The Last Decade

Jürg Hutter

191 papers receiving 37.0k citations

Hit Papers

Separable dual-space Gaussian pseudopotentials 1996 2026 2006 2016 1996 2005 2007 1998 2013 1000 2.0k 3.0k 4.0k 5.0k
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. Separable dual-space Gaussian pseudopotentials
    1996 5.9k citations Stefan Goedecker, M. P. Teter et al. Physical review. B, Condensed matter profile →
  2. Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
    2005 4.6k citations Joost VandeVondele, Matthias Krack et al. profile →
  3. Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
    2007 3.5k citations Joost VandeVondele, Jürg Hutter The Journal of Chemical Physics profile →
  4. Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
    1998 3.5k citations Stefan Goedecker, Jürg Hutter et al. Physical review. B, Condensed matter profile →
  5. cp2k: atomistic simulations of condensed matter systems
    2013 2.4k citations Jürg Hutter, Marcella Iannuzzi et al. Wiley Interdisciplinary Reviews Computational Molecular Science profile →
  6. The nature of the hydrated excess proton in water
    1999 1.5k citations Jürg Hutter, Michele Parrinello et al. profile →
  7. A hybrid Gaussian and plane wave density functional scheme
    1997 1.1k citations Jürg Hutter, Michele Parrinello et al. profile →
  8. Ab Initio Molecular Dynamics
    2009 1.1k citations Jürg Hutter et al. profile →
  9. CO Oxidation on Pt(111): AnAb InitioDensity Functional Theory Study
    1998 688 citations Jürg Hutter et al. profile →
  10. Autoionization in Liquid Water
    2001 621 citations Phillip L. Geissler, Christoph Dellago et al. profile →
  11. Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
    1996 536 citations Jürg Hutter, Michele Parrinello et al. The Journal of Chemical Physics profile →
  12. The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations
    1999 535 citations Jürg Hutter, Michele Parrinello et al. profile →
  13. An efficient orbital transformation method for electronic structure calculations
    2003 521 citations Joost VandeVondele, Jürg Hutter The Journal of Chemical Physics profile →
  14. Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations
    2010 495 citations Jürg Hutter, Joost VandeVondele et al. Journal of Chemical Theory and Computation profile →

Peers — A (Enhanced Table)

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

Name h Career Trend Papers Cites
Jürg Hutter Switzerland 64 16.3k 14.5k 8.0k 4.6k 4.4k 194 37.4k
Michel Dupuis United States 65 10.2k 0.6× 13.3k 0.9× 5.7k 0.7× 3.8k 0.8× 5.6k 1.3× 243 34.6k
Lars Goerigk Australia 35 12.1k 0.7× 7.0k 0.5× 5.5k 0.7× 5.7k 1.2× 3.1k 0.7× 76 29.8k
M. C. Payne United Kingdom 59 33.5k 2.1× 11.8k 0.8× 13.2k 1.7× 4.5k 1.0× 4.3k 1.0× 222 50.1k
Jens Antony Germany 24 23.4k 1.4× 7.9k 0.5× 11.7k 1.5× 8.4k 1.8× 7.8k 1.8× 32 48.2k
Carlo Adamo France 82 18.8k 1.2× 13.1k 0.9× 8.4k 1.1× 5.8k 1.2× 3.7k 0.9× 456 44.5k
Roberto Car United States 96 24.2k 1.5× 17.4k 1.2× 11.3k 1.4× 2.2k 0.5× 2.4k 0.6× 338 44.6k
Chris J. Pickard United Kingdom 81 32.5k 2.0× 7.4k 0.5× 10.1k 1.3× 6.3k 1.4× 3.1k 0.7× 316 48.2k
Matthias Scheffler Germany 118 33.5k 2.1× 23.0k 1.6× 15.0k 1.9× 2.7k 0.6× 5.5k 1.3× 491 53.9k
B. Delley Switzerland 66 23.7k 1.5× 7.1k 0.5× 10.3k 1.3× 4.0k 0.9× 4.8k 1.1× 295 37.2k

Countries citing papers authored by Jürg Hutter

Since Specialization
Citations

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

Fields of papers citing papers by Jürg Hutter

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Jürg Hutter

This figure shows the co-authorship network connecting the top 25 collaborators of Jürg Hutter. A scholar is included among the top collaborators of Jürg Hutter 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 Jürg Hutter. Jürg Hutter 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.
Schulz, Michael, et al.. (2025). A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems. Journal of Chemical Theory and Computation. 21(20). 10474–10488.
2.
Prasad, Jasmine, Eunice Y. Huang, Jürg Hutter, et al.. (2025). The State of Mental Health in Medical Students in 2023 from 18 Countries. Academic Psychiatry. 50(1). 33–38.
3.
Bussy, Augustin & Jürg Hutter. (2024). Efficient periodic resolution-of-the-identity Hartree–Fock exchange method withk-point sampling and Gaussian basis sets. The Journal of Chemical Physics. 160(6). 10 indexed citations
4.
Bunzen, Hana, et al.. (2024). Experimental and Theoretical Insights on Gas Trapping of Noble Gases in MFU‐4‐Type Metal–Organic Frameworks. Chemistry - A European Journal. 31(5). e202403574–e202403574.
5.
Hutter, Jürg, et al.. (2024). Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm–Dancoff Approximation of Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation. 20(19). 8494–8504. 2 indexed citations
6.
Iannuzzi, Marcella, et al.. (2023). A variational formulation of the Harris functional as a correction to approximate Kohn–Sham density functional theory. The Journal of Chemical Physics. 158(5). 54111–54111. 3 indexed citations
7.
Zeng, Zezhu, et al.. (2023). Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. 14(1). 6131–6131. 46 indexed citations
8.
Hutter, Jürg, et al.. (2023). Radicals in aqueous solution: assessment of density-corrected SCAN functional. Physical Chemistry Chemical Physics. 25(31). 20817–20836. 13 indexed citations
9.
Chulkov, Sergey K., et al.. (2022). Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods. Journal of Chemical Theory and Computation. 18(7). 4186–4202. 30 indexed citations
10.
Wick‐Joliat, René, Tiziana Musso, Rajiv Ramanujam Prabhakar, et al.. (2019). Stable and tunable phosphonic acid dipole layer for band edge engineering of photoelectrochemical and photovoltaic heterojunction devices. Energy & Environmental Science. 12(6). 1901–1909. 52 indexed citations
11.
Lan, Jinggang, Jürg Hutter, & Marcella Iannuzzi. (2018). First-Principles Simulations of an Aqueous CO/Pt(111) Interface C. The Journal of Physical Chemistry. 2 indexed citations
12.
Mondal, Arobendo, Michael W. Gaultois, Andrew J. Pell, et al.. (2017). Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K. Journal of Chemical Theory and Computation. 14(1). 377–394. 34 indexed citations
13.
Gräf, Manuel, Gerson Mette, D. Leuenberger, et al.. (2017). The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO2(110). Nanoscale. 9(25). 8756–8763. 6 indexed citations
14.
Mette, Gerson, Benjamin Probst, Marcella Iannuzzi, et al.. (2016). From porphyrins to pyrphyrins: adsorption study and metalation of a molecular catalyst on Au(111). Nanoscale. 8(15). 7958–7968. 32 indexed citations
15.
Hutter, Jürg, Marcella Iannuzzi, Florian Schiffmann, & Joost VandeVondele. (2013). cp2k: atomistic simulations of condensed matter systems. Wiley Interdisciplinary Reviews Computational Molecular Science. 4(1). 15–25. 2411 indexed citations breakdown →
16.
Berke, Heinz, E. Freisinger, Jürg Hutter, et al.. (2009). Man-Made Ancient Chinese Blue and Purple Pigments. 2009(6). 251–265. 4 indexed citations
17.
Iannuzzi, Marcella & Jürg Hutter. (2007). Inner-shell spectroscopy by the Gaussian and augmented plane wave method. Physical Chemistry Chemical Physics. 9(13). 1599–1599. 79 indexed citations
18.
McGrath, Matthew J., J. Ilja Siepmann, I‐Feng W. Kuo, et al.. (2005). Isobaric–Isothermal Monte Carlo Simulations from First Principles: Application to Liquid Water at Ambient Conditions. ChemPhysChem. 6(9). 1894–1901. 86 indexed citations
19.
Geissler, Phillip L., Christoph Dellago, David Chandler, Jürg Hutter, & Michele Parrinello. (2000). Autodissociation of a water molecule in liquid water. Abstracts of papers - American Chemical Society. 220. 3 indexed citations
20.
Goedecker, Stefan, M. P. Teter, & Jürg Hutter. (1996). Separable dual-space Gaussian pseudopotentials. Physical review. B, Condensed matter. 54(3). 1703–1710. 5908 indexed citations breakdown →

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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