Joost VandeVondele

27.6k total citations · 8 hit papers
106 papers, 19.4k citations indexed

About

Joost VandeVondele is a scholar working on Atomic and Molecular Physics, and Optics, Materials Chemistry and Physical and Theoretical Chemistry. According to data from OpenAlex, Joost VandeVondele has authored 106 papers receiving a total of 19.4k indexed citations (citations by other indexed papers that have themselves been cited), including 67 papers in Atomic and Molecular Physics, and Optics, 35 papers in Materials Chemistry and 14 papers in Physical and Theoretical Chemistry. Recurrent topics in Joost VandeVondele's work include Spectroscopy and Quantum Chemical Studies (52 papers), Advanced Chemical Physics Studies (41 papers) and Photochemistry and Electron Transfer Studies (13 papers). Joost VandeVondele is often cited by papers focused on Spectroscopy and Quantum Chemical Studies (52 papers), Advanced Chemical Physics Studies (41 papers) and Photochemistry and Electron Transfer Studies (13 papers). Joost VandeVondele collaborates with scholars based in Switzerland, United Kingdom and United States. Joost VandeVondele's co-authors include Jürg Hutter, Matthias Krack, Fawzi Mohamed, Michele Parrinello, Florian Schiffmann, Marcella Iannuzzi, Michiel Sprik, Ursula Röthlisberger, Manuel Guidon and Alessandro Laio and has published in prestigious journals such as Nature, Proceedings of the National Academy of Sciences and Journal of the American Chemical Society.

In The Last Decade

Joost VandeVondele

105 papers receiving 19.2k citations

Hit Papers

5 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.

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. Computer Physics Communications profile →
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 →
cp2k: atomistic simulations of condensed matter systems

2013 2.4k citations Jürg Hutter, Marcella Iannuzzi et al. Wiley Interdisciplinary Reviews Computational Molecular Science profile →
Catalyst support effects on hydrogen spillover

2017 885 citations Waiz Karim, Clelia Spreafico et al. Nature profile →
A Hamiltonian electrostatic coupling scheme for hybrid Car–Parrinello molecular dynamics simulations

2002 522 citations Alessandro Laio, Joost VandeVondele et al. The Journal of Chemical Physics profile →
An efficient orbital transformation method for electronic structure calculations

2003 521 citations Joost VandeVondele, Jürg Hutter The Journal of Chemical Physics profile →
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 →
Materials Cloud, a platform for open computational science

2020 267 citations Joost VandeVondele et al. profile →

Peers

Countries citing papers authored by Joost VandeVondele

Since Specialization

Citations

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

Fields of papers citing papers by Joost VandeVondele

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Joost VandeVondele

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

#	Work	Indexed citations
1	Catalyst support effects on hydrogen spillover breakdown → 2017 ·Nature ·Waiz Karim, Clelia Spreafico, Armin Kleibert, J. Gobrecht, Joost VandeVondele, Yasin Ekinci, Jeroen A. van Bokhoven	885
2	Spin-Unrestricted Second-Order Møller–Plesset (MP2) Forces for the Condensed Phase: From Molecular Radicals to F-Centers in Solids 2016 ·Journal of Chemical Theory and Computation ·Vladimir V. Rybkin, Joost VandeVondele	23
3	Aligning Electronic and Protonic Energy Levels of Proton‐Coupled Electron Transfer in Water Oxidation on Aqueous TiO₂ 2014 ·Angewandte Chemie International Edition ·Jun Cheng, Xiandong Liu, (unknown), Joost VandeVondele, Michiel Sprik	72
4	Synthesis of Two-Dimensional Analogues of Copolymers by Site-to-Site Transmetalation of Organometallic Monolayer Sheets 2014 ·Journal of the American Chemical Society ·Zhikun Zheng, Lothar Opilik, Florian Schiffmann, Wei Liu, Giacomo Bergamini, Paola Ceroni, Lay‐Theng Lee, Andri Schütz, Junji Sakamoto, Renato Zenobi, Joost VandeVondele, A. Dieter Schlüter	119
5	cp2k: atomistic simulations of condensed matter systems breakdown → 2013 ·Wiley Interdisciplinary Reviews Computational Molecular Science ·Jürg Hutter, Marcella Iannuzzi, Florian Schiffmann, Joost VandeVondele	2411
6	Speed Limits for Acid–Base Chemistry in Aqueous Solutions 2012 ·CHIMIA International Journal for Chemistry ·Mateusz L. Donten, Joost VandeVondele, Peter Hamm	15
7	Large variation of vacancy formation energies in the surface of crystalline ice 2011 ·Nature Materials ·Matthew B. Watkins, Ding Pan, E. G. Wang, Angelos Michaelides, Joost VandeVondele, Ben Slater	56
8	A Consistent Picture of the Proton Release Mechanism of oNBA in Water by Ultrafast Spectroscopy and Ab Initio Molecular Dynamics 2011 ·The Journal of Physical Chemistry B ·Mateusz L. Donten, Peter Hamm, Joost VandeVondele	26
9	An atomistic picture of the regeneration process in dye sensitized solar cells 2010 ·Proceedings of the National Academy of Sciences ·Florian Schiffmann, Joost VandeVondele, Jürg Hutter, Atsushi Urakawa, Ronny Wirz, Alfons Baiker	82
10	Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface 2008 ·Journal of Physics Condensed Matter ·Florian Schiffmann, Jürg Hutter, Joost VandeVondele	36
11	Electron Transfer Properties from Atomistic Simulations and Density Functional Theory 2007 ·CHIMIA International Journal for Chemistry ·Joost VandeVondele, Marialore Sulpizi, Michiel Sprik	6
12	Copper binding sites in the C‐terminal domain of mouse prion protein: A hybrid (QM/MM) molecular dynamics study 2007 ·Proteins Structure Function and Bioinformatics ·Maria Colombo, Joost VandeVondele, Sabine Van Doorslaer, Alessandro Laio, Leonardo Guidoni, Ursula Röthlisberger	19
13	Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases breakdown → 2007 ·The Journal of Chemical Physics ·Joost VandeVondele, Jürg Hutter	3518
14	From Solvent Fluctuations to Quantitative Redox Properties of Quinones in Methanol and Acetonitrile 2006 ·Angewandte Chemie International Edition ·Joost VandeVondele, Marialore Sulpizi, Michiel Sprik	27
15	Isobaric–Isothermal Monte Carlo Simulations from First Principles: Application to Liquid Water at Ambient Conditions 2005 ·ChemPhysChem ·Matthew J. McGrath, J. Ilja Siepmann, I‐Feng W. Kuo, Christopher J. Mundy, Joost VandeVondele, Jürg Hutter, Fawzi Mohamed, Matthias Krack	86
16	A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods 2005 ·Physical Chemistry Chemical Physics ·Joost VandeVondele, Michiel Sprik	144
17	Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach breakdown → 2005 ·Computer Physics Communications ·Joost VandeVondele, Matthias Krack, Fawzi Mohamed, Michele Parrinello, (unknown), Jürg Hutter	4622
18	Reaction mechanism of caspases: Insights from QM/MM Car–Parrinello simulations 2003 ·Proteins Structure Function and Bioinformatics ·Marialore Sulpizi, Alessandro Laio, Joost VandeVondele, Antonino Cattaneo, Ursula Röthlisberger, Paolo Carloni	34
19	Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions 2002 ·CHIMIA International Journal for Chemistry ·Maria Colombo, (unknown), Joost VandeVondele, Marialore Sulpizi, Katrin Spiegel, Ute F. Röhrig, Stefano Piana, Patrick Maurer, Alessandra Magistrato, Alessandro Laio, Leonardo Guidoni, Ursula Röthlisberger	51
20	Canonical Adiabatic Free Energy Sampling (CAFES): A Novel Method for the Exploration of Free Energy Surfaces 2001 ·The Journal of Physical Chemistry B ·Joost VandeVondele, Ursula Röthlisberger	58

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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