Jörg Meyer
Associate Professor
- Name
- Dr. J. Meyer
- Telephone
- +31 71 527 5569
- j.meyer@chem.leidenuniv.nl
- ORCID iD
- 0000-0003-0146-730X
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
PhD candidates
News
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The energy transition under the nanoscope: Gravitation funding for ANION project -
Gravitation funding for five projects with Leiden researchers
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Searching for an explanation for remarkable behaviour of ice on Earth -
Ecologist Michiel Veldhuis is the Discoverer of the Year 2020 -
Renske Donkers wins Young Star Award, students surprise lecturers -
Non-adiabatic effects may substantially affect rate of reaction relevant to Haber-Bosch catalysis -
Chemical bond versus electromagnetic waves -
Going accurate for molecule – metal surface interactions
Former PhD candidates
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
Education
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
- Cottom J.P., Hückmann L., Olsson E. & Meyer J. (2024), From Jekyll to Hyde and beyond: hydrogen’s multifaceted role in passivation, H-induced breakdown, and charging of amorphous silicon nitride, Journal of Physical Chemistry Letters 15(3): 840-848.
- Sah Mantu K., Naskar K., Adhikari S., Smits B. & Meyer J. Somers M.F. (2024), On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K, The Journal of Chemical Physics 161(1): 014306.
- Powell Andrew D. Gerrits Nick Tchakoua Theophile Somers Mark F. Busnengo Heriberto F. Meyer Jörg Kroes Geert-Jan Doblhoff-Dier Katharina (2024), Best-of-both-worlds predictive approach to dissociative chemisorption on metals, Journal of Physical Chemistry Letters 15(1): 307-315.
- Smits B., Sah Mantu K., Naskar K., Adhikari S., Meyer J. & Somers M.F. (2024), Reactive scattering of H2 on Cu(111) at 925 K: Effective Hartree potential vs sudden approximation, The Journal of Chemical Physics 161(15): 154702.
- Ferrari B.C., Molpeceres G., Kästner J., Aikawa Y., Hemert M.C. van, Meyer J. & Lamberts A.L.M. (2023), Floating in space: how to treat the weak interaction between CO molecules in interstellar ices, ACS Earth and Space Chemistry 7(7): 1423-1432.
- Zhang D., Virchenko V.S., Jansen C., Bakker J.M., Meyer J., Kleyn A.W., Groot I.M.N., Berg O.T. & Juurlink L.B.F. (2023), Characterization of CO adsorbed to clean and oartially Oxidized Cu(211) and Cu(111), The Journal of Physical Chemistry Part C 127(50): 24158-24167.
- Hückmann L., Cottom J.P. & Meyer J. (2023), Intrinsic charge trapping and reversible charge induced structural modifications in a‐Si3N4, Advanced Physics Research 3(2): 2300109.
- Rasti S., Jónsson Elvar O., Jónsson H. & Meyer J. (2022), New insights into the volume isotope effect of ice Ih from polarizable many-body potentials, Journal of Physical Chemistry Letters 12(50): 11831-11836.
- Jónsson E.Ö., Rasti R., Galynska M., Meyer J. & Jónsson H. (2022), Transferable potential function for flexible H2O molecules based on the single-center multipole expansion, Journal of Chemical Theory and Computation 18(12): 7528-7543.
- Boden D., Groot I.M.N. & Meyer J. (2022), Elucidating the initial oxidation of Pt(111) using large-scale atomistic thermodynamics: a ReaxFF Study, The Journal of Physical Chemistry Part C 126(47): 20020-20027.
- Dutta J., Naskar K., Adhikari S., Meyer J. & Somers M.F. (2022), Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface, The Journal of Chemical Physics 157: 194112.
- Kang K., Shakouri K., Kroes G.J., Kleyn A.W. & Meyer J. (2022), Three-dimensional Langevin dynamics of N atom scattering from N-covered Ag(1 1 1), Chemical Physics 560: 111557.
- Zhang D., Jansen C., Berg O.T., Bakker J.M., Meyer J., Kleyn A.W. & Juurlink L.B.F. (2022), RAIRS characterization of CO and O coadsorption on Cu(111), The Journal of Physical Chemistry Part C 126(31): 13114-13121.
- Lushchikova O.V., Tahmasbi H., Reijmer S., Platte R., Meyer J. & Bakker J.M. (2021), IR spectroscopic characterization of H2 adsorption on cationic cun+ (n = 4–7) clusters, The Journal of Physical Chemistry A 125(14): 2836-2848.
- Joy D., Souvik M., Satrajit A., Spiering P., Meyer J. & Somers M.F. (2021), Effect of surface temperature on quantum dynamics of H2 on Cu(111) using a chemically accurate potential energy surface, The Journal of Chemical Physics 154: 104103.
- Lushchikova O.V., Szalay M., Tahmasbi H., Juurlink L. B. F., Meyer J., Höltzl T. & Bakker J.M. (2021), IR spectroscopic characterization of the co-adsorption of CO2 and H2 onto cationic Cun+ clusters, Physical Chemistry Chemical Physics 2021(47): 26661-26673.
- Chen J., Hariharan S., Meyer J. & Guo H. (2020), Potential energy landscape of CO adsorbates on NaCl(100) and implications in isomerization of vibrationally excited CO, The Journal of Physical Chemistry Part C 124(35): 19146–19156.
- Fuentes-Landete V. Rasti S. Schlögl R. Meyer J. Loerting T. (2020), Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm, Journal of Physical Chemistry Letters 11: 8268–8274.
- Prabhu M.K. Boden D. Rost M.J. Meyer J. Groot I.M.N. (2020), Structural characterization of a novel two-dimensional material: cobalt sulfide sheets on Au(111), Journal of Physical Chemistry Letters 11(21): 9038–9044.
- Gerrits N. Iñaki Juaristi J. Meyer J. (2020), Electronic friction coefficients from the atom-in-jellium model for Z=1–92, Physical Review B 102(15): 155130-155130.
- Spiering P., Shakouri K., Behler J., Kroes G.J. & Meyer J. (2019), Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N2 from Ru(0001), Journal of Physical Chemistry Letters 10: 2957-2962.
- Rasti S. & Meyer J. (2019), Importance of Zero-Point Energy for Crystalline Ice Phases: A Comparison of Force Fields and Density Functional Theory, The Journal of Chemical Physics 150(23): 234504.
- Maheshwari S., Fridriksson M.B., Seal S., Meyer J. & Grozema F.C. (2019), The Relation between Rotational Dynamics of the Organic Cation and Phase Transitions in Hybrid Halide Perovskites, The Journal of Physical Chemistry Part C 123(23): 14652–14661.
- Chen L., Lau J.A., Schwarzer D., Meyer J., Verma V.B. & Wodtke A.M. (2019), The Sommerfeld ground-wave limit for a molecule adsorbed at a surface, Science 363(6423): 158-161.
- Spiering P. & Meyer J. (2018), Testing Electronic Friction Models: Vibrational De-excitation in Scattering of H2 and D2 from Cu(111), Journal of Physical Chemistry Letters 9(7): 1803-1808.
- Godsi O., Corem G., Alkoby Y., Cantin T., Krems R.V., Somers M.F., Meyer J., Kroes G.J., Maniv T. & Alexandrowicz G. (2017), A general method for controlling and resolving rotational orientation of molecules in molecule-surface collisions, Nature Communications 8: 15357.
- Doblhoff-Dier K., Meyer J., Hoggan P.E. & Kroes G.J. (2017), Quantum Monte Carlo Calculations on a Benchmark Molecule - Metal Surface Reaction: H2 + Cu(111), Journal of Chemical Theory and Computation 13(7): 3208-3219.
- Shakouri K., Behler J., Meyer J. & Kroes G.J. (2017), Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N2+ Ru (0001), Journal of Physical Chemistry Letters 8(10): 2131-2136.
- Rittmeyer S.P., Meyer J. & Reuter K. (2017), Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence, Physical Review Letters 119(17): 176808.
- Doblhoff-Dier K., Meyer J., Hoggan P.E., Kroes G.J. & Wagner L.K. (2016), Diffusion Monte Carlo for accurate dissociation energies of 3d transition metal containing molecules, Journal of Chemical Theory and Computation 12(6): 2583-2597.
- Wijzenbroek M., Helstone D., Meyer J. & Kroes G.J. (2016), Dynamics of H2 dissociation on the close-packed (111) surface of the noblest metal: H2 + Au(111), The Journal of Chemical Physics 145(14): 144701.
- Rittmeyer S.P., Meyer J., Juaristi J.I. & Reuter K. (2015), Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation, Physical Review Letters 115(4): 046102.
- Bukas V.J., Mitra S., Meyer J. & Reuter K. (2015), Fingerprints of energy dissipation for exothermic surface chemical reactions: O2 on Pd(100), The Journal of Chemical Physics 143(3): 034705.
- Goikoetxea I., Meyer J., Juaristi J.I. , Alducin M. & Reuter K. (2014), Role of Physisorption States in Molecular Scattering: A Semilocal Density-Functional Theory Study on O2/Ag(111), Physical Review Letters 112(15): 156101.
- Zaum C., Meyer J., Reuter K. & Morgenstern K. (2014), Quantitative determination of a nano-object's atom density without atomic resolution, Physical Review B: Condensed Matter 90(16): 165418.
- Meyer J. & Reuter K. (2014), Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for Chemical Reaction Dynamics on Metal Surfaces, Angewandte Chemie - International Edition in English 53(18): 4721-4724.
- Meyer J. & Reuter K. (2014), Modellierung von Wärmedissipation auf der Nanoskala: ein Einbettungsansatz für chemische Reaktionen auf Metalloberflächen, Angewandte Chemie 126(18): 4813-4816.
- Mercurio G., Maurer R.J., Liu W., Hagen S., Leyssner F., Tegeder P., Meyer J., Tkatchenko A., Soubatch S., Reuter K. & Tautz F.S. (2013), Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111), PHYSICAL REVIEW B 88(3): 035421.
- Bukas V.J., Meyer J., Alducin M. & Reuter K. (2013), Ready, Set and no Action: A Static Perspective on Potential Energy Surfaces commonly used in Gas-Surface Dynamics, Zeitschrift für Physikalische Chemie 227(9-11): 1523-1542.
- Sirtl T., Jelic J., Meyer J., Das K., Heckl W.M., Moritz W., Rundgren J., Schmittel M., Reuter K. & Lackinger M. (2013), Adsorption structure determination of a large polyaromatic trithiolate on Cu(111): combination of LEED-I(V) and DFT-vdW, Physical Chemistry Chemical Physics 15(26): 11054-11060.
- Carbogno C., Gross A., Meyer J. & Reuter K. (2013), O2 Adsorption Dynamics at Metal Surfaces: Non-Adiabatic Effects, Dissociation and Dissipation. In: Díez Muiño R. & Fabio Busnengo H. (Eds.), Springer Series in Surface Sciences no. 50: Springer Berlin Heidelberg. 389-419.
- Goikoetxea I., Beltran J., Meyer J., Juaristi J.I., Alducin M. & Reuter K. (2012), Non-adiabatic effects during the dissociative adsorption of O2 at Ag(111)? A first-principles divide and conquer study, New Journal of Physics 14: 013050.
- Carbogno C., Gross A., Meyer J. & Reuter K. (2012), O2 Adsorption Dynamics at Metal Surfaces: Non-Adiabatic Effects, Dissociation and Dissipation. In: Muiño R.D. & Busnengo H.F. (Eds.), Dynamics of Gas-Surface Interactions: Atomic-Level Description of Elementary Processes: Springer Berlin. 389-419.
- Meyer J. & Reuter K. (2011), Electron–hole pairs during the adsorption dynamics of O2 on Pd(100): exciting or not?, 13(8): 085010.
- McNellis E.R., Mercurio G., Hagen S., Leyssner F., Meyer J., Soubatch S., Wolf M., Reuter K., Tegeder P. & Tautz F.S. (2010), Bulky spacer groups - A valid strategy to control the coupling of functional molecules to surfaces?, Chemical Physics Letters 499(4-6): 247-249.
- Korventausta A., Meyer J. & Nieminen J. (2010), Carrier wave effect in nonresonant inelastic scanning tunneling spectroscopy of molecules with delocalized frontier orbitals, Physical Review B 81(24): 245426.
- Mercurio G., McNellis E.R., Martin I., Hagen S., Leyssner F., Soubatch S., Meyer J., Wolf M., Tegeder P., Tautz F.S. & Reuter K. (2010), Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches, Physical Review Letters 104(3): 036102.
- McNellis E.R., Bronner C., Meyer J., Weinelt M., Tegeder P. & Reuter K. (2010), Azobenzene versus 3,3 ',5,5 '-tetra-tert-butyl-azobenzene (TBA) at Au(111): characterizing the role of spacer groups, Physical Chemistry Chemical Physics 12(24): 6404-6412.
- McNellis E., Meyer J., Baghi A.D. & Reuter K. (2009), Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene on Cu(111), Ag(111), and Au(111), Physical Review B: Condensed Matter 80(3): .
- Simic-Milosevic V., Meyer J. & Morgenstern K. (2009), Chirality Change of Chloronitrobenzene on Au(111) Induced by Inelastic Electron Tunneling, Angewandte Chemie (International Edition) 48(22): 4061-4064.
- McNellis E.R., Meyer J. & Reuter K. (2009), Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions, Physical Review B 80(20): 205414.
- Simic-Milosevic V., Meyer J. & Morgenstern K. (2008), Electron-induced isomerisation of dichlorobenzene on Cu(111) and Ag(111), Physical Chemistry Chemical Physics 10(14): 1916-1920.
- Bredow T., Tegenkamp C., Pfnuer H., Meyer J., Maslyuk V.V. & Mertig I. (2008), Ferrocene-1,1'-dithiol as molecular wire between Ag electrodes: The role of surface defects, The Journal of Chemical Physics 128(6): .
- Simic-Milosevic V., Mehlhorn M., Rieder K.H., Meyer J. & Morgenstern K. (2007), Electron induced ortho-meta isomerization of single molecules, Physical Review Letters 98(11): 116102.
- Meyer J., Bredow T., Tegenkamp C. & Pfnür H. (2006), Thiol and thiolate bond formation of ferrocene-1,1-dithiol to a Ag(111) surface, The Journal of Chemical Physics 125(19): 194705.