Universiteit Leiden

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Jörg Meyer

Associate Professor

Dr. J. Meyer
+31 71 527 5569

Jörg Meyer investigates energy conversion at interfaces at the atomic scale. Starting from the Schrödinger equation, he develops and employs computer simulation techniques.

More information about Jörg Meyer

Research interests

My main research interest is to understand energy dissipation at the atomic scale. For example, chemical reactions go hand-in-hand with an energy exchange with the environment in which they take place. Surfaces offer a variety of energy dissipation channels, constituted by the nuclear and electronic degrees of freedom of the surface atoms. I employ a variety of computational modelling techniques ranging from the electronic structure to the force-field levels and investigate important implications for example for heterogeneous as well as electrocatalysis and astrochemistry.

Curriculum Vitae

Personal information

Nationality: German


2012 PhD (summa cum laude), Faculty of Physics, Freie Universität Berlin, Germany
Thesis title: ‘Ab initio modelling of Energy Dissipation during Chemical Reactions on Transition Metal surfaces’
Advisor: Prof. Dr. K. Reuter
2006 Diploma in Physics, Faculty of Physics, Universität Hannover, Germany (with distinction)

Current and previous research positions

2020 – now Associate Professor (tenured), Leiden Institute of Chemistry, Leiden University, The Netherlands
2015 – 2019 Tenure Track Assistant Professor, Leiden Institute of Chemistry, Leiden University, The Netherlands
2013 – 2014 Post-doctoral Researcher, Leiden Institute of Chemistry, Leiden University, The Netherlands (Prof. Dr. G.-J. Kroes)
2012 – 2013 Post-doctoral Researcher, Department Chemie, Technische Universität München, Germany (Prof. Dr. K. Reuter)

Grants, awards, recognitions since 2010

2022 TKI-HTSM PPP grant (k€ 448)
2021 TKI-HTSM PPP grant (k€ 1011)
2020 TKI-HTSM PPP grant (k€ 920)
2020 Teacher of the Year Award of the Faculty of Science
2017 NWO-ENW “Materials for Sustainability” programme grant together with L.B.F. Juurlink and J.M. Bakker (k€ 700)
2015 NWO-CW Vidi grant (k€ 800)
2013 Winner of Young Investigator Competition at Gordon Research Conference “Dynamics at Surfaces” & DAAD (German Academic Exchange Service) travel grant (2nd time in a row)
2011 Winner of Young Investigator Competition at Gordon Research Conference “Dynamics at Surfaces” & DAAD (German Academic Exchange Service) travel grant (1st time in a row)

Contribution to teaching and supervision

  • Lecture for course Physical Methods in Inorganic Chemistry of the Holland Research School of Molecular Chemistry (HRSMC): From the foundations to practical DFT calculations
  • Lectures for Winter School on Theoretical chemistry in Han-sur-Lesse (2019 & 2021): Machine Learning in Computational Chemistry
  • Course (annual) for MSc Chemistry at Leiden University: Density Functional Theory in Practice
  • Course (annual) for BSc Molecular Science and Technology (Leiden/Delft): Quantumchemie en Fysica

(Co-)Supervision of 11 PhD students and 8 postdoctoral fellows (including 1 VENI laureate) since 2015.

Other responsibilities since 2016

  • Member of hiring committee for new staff members (2020 & 2023)
  • Co-organizer of Van Marum Colloquia (since 2022, co-organizer of FRESH lectures before)
  • Co-organizer of Lorentz Workshop “Energy Dissipation at Interfaces: From Catalysis to Astrochemistry” (2022)
  • Member of the NWO Veni Domain Science committee (2020 & 2021)
  • Member of parallel session programme committee for NWO CHAINS 2020
  • Organiser of the second KNCV-CTC symposium (Leiden 2020 - postponed to 2021 due to COVID19)
  • Organiser of focus session “Beyond Arrhenius - vibrationally promoted conversion of inert molecules” at Dutch national chemistry conference CHAINS 2019
  • Selected as a returning mentor for the International High-Performance Computing Summer School (IHPCSS 2018)
  • Founding board member of the division for Computational and Theoretical Chemistry (CTC) of the Royal Dutch Society for Chemistry (KNCV, since 2017)
  • Member (since 2016) and chair (since 2021) of the programme committee for MSc chemistry at Leiden University
  • Member of the scientific council (WERA) of the Leiden Institute of Chemistry (since 2015)
  • Member of the institute council of the Leiden Institute for Chemistry (2015-2021)
  • Reviewer for Nature, Nature Communications, Nature Computational Science, Advanced Materials, ACS Nano, The Journal of Physical Chemistry Letters, Physical Review Letters, Journal of Chemical Theory and Computations, The Journal of Chemical Physics, Surface Science (and others according to records on ORCiD & Web of Science)

Publication record including five recent representative publications

51 papers with >1700 citations, H-index 21 (Web of Science)

Full publication record: Leiden University or Google Scholar

  • S. Rasti, E. Ö. Jónsson, H. Jónsson, J. Meyer, New Insights into the Volume Isotope Effect of Ice Ih from Polarizable Many-Body Potentials, J. Phys. Chem. Lett. 2022, 50 (13), 234504. DOI: 10.1021/acs.jpclett.2c03212
    selected for cover
  • D. Boden, I. M. N. Groot and J. Meyer, Elucidating the Initial Oxidation of Pt(111) Using Large-Scale Atomistic Thermodynamics: A ReaxFF Study, J. Phys. Chem. C 2022, 126 (47), 20020–20027. DOI: 10.1021/acs.jpcc.2c05769
    selected for cover
  • O. V. Lushchikova, H. Tahmasbi, S. Reijmer, R. Platte, J. Meyer*, J. M. Bakker, IR Spectroscopic Characterization of H2 Adsorption on Cationic Cun+ (n = 4–7) Clusters, J. Phys. Chem. A 2021, 125 (14), 2836–2848. DOI: 10.1021/acs.jpca.0c11527
    *senior and corresponding author for theory part
  • P. Spiering, K. Shakouri, J. Behler, G.-J. Kroes, J. Meyer, Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N2 from Ru(0001), J. Phys. Chem. Lett. 2019, 10, 2957–2962. DOI: 10.1021/acs.jpclett.9b00523
  • L. Chen, J. A. Lau, D. Schwarzer, J. Meyer, V. B. Verma, A. M. Wodtke, The Sommerfeld Ground-Wave Limit for a Molecule Adsorbed at a Surface, Science 2018, 363 (6423), 158–161. DOI: 10.1126/science.aav4278

Presentations including five presentations at international conferences

>50 invited presentations at academic institutions, companies, workshops and conferences plus 2 young investigator prize winner’s talks at Gordon Research Conferences

  • IMAMPC 2023: 12th International Meeting On Atomic and Molecular Physics and Chemistry (Innsbruck, Austria, June 2023, invited)
  • CMQM 2021: Condensed Matter and Quantum Materials (online, June 2021, invited)
  • Gordon Research Conference (GRC) “Dynamics at Surfaces” (Newport, RI, USA, July 2019, invited speaker) & “Molecular Interactions and Dynamics” (Easton, MA, USA, July 2022, invited discussion leader)
  • 258th ACS National Meeting, Symposium on “Water in the Universe” (San Diego, CA, USA, August 2019 invited)
  • CECAM workshop on “Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes” (Albi, France, June 2017 & Toulouse, France, September 2021, both invited)



Associate Professor

  • Science
  • Leiden Institute of Chemistry
  • LIC/Energy & Sustainability

Work address

Gorlaeus Building
Einsteinweg 55
2333 CC Leiden
Room number DM018



No relevant ancillary activities

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