Mark Somers
Assistant professor
- Name
- Dr. M.F. Somers
- Telephone
- +31 71 527 4437
- m.somers@chem.leidenuniv.nl
- ORCID iD
- 0009-0004-4101-7789
Mark Somers focuses his research on the role of surface atoms in the reactive scattering and diffraction of hydrogen from metal surfaces. He hopes to achieve 'quantum supremacy': taking all relevant dynamical surface effects into account at a quantum dynamics level.
Read more about the research of Mark Somers
Biography
2006 - now 0.5 fte Assistant Professor and 0.5 fte ICT-Software developer at Leiden Institute of Chemistry, Theoretical Chemistry.
2004 - 2006 Post Doc at Leiden Institute of Chemistry, Theoretical Chemistry.
1999 - 2004 PhD student at Leiden Institute of Chemistry, Theoretical Chemistry. Thesis title: "Six-Dimensional Quantum Dynamics of Dissociative Chemisorption of Hydrogen on Metal Surfaces"
1995 - 1999 Student at UvA and VU. Chemistry, spectroscopy and theory.
Assistant professor
- Faculty of Science
- Leiden Institute of Chemistry
- LIC/Energy & Sustainability
- LIC/ES/Theoretical Chemistry
ICT developer
- Faculty of Science
- Leiden Institute of Chemistry
- LIC/Energy & Sustainability
- LIC/ES/Theoretical Chemistry
- 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 A.D., Gerrits N., Tchakoua T., Somers M.F., Busnengo H.F., Meyer J., Kroes G.J. & Doblhoff-Dier K. (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.
- Tchakoua T., Jansen T., Nies Y.M. van, Elshout R.F.A. van den, Boxmeer B.A.B. van, Poort S.P., Ackermans M.G., Beltrao G.S., Hildebrand S.A., Beekman S.E.J., Drift T. van der, Kaart S., Santic A., Spuijbroek E.E., Gerrits N., Somers M.F. & Kroes G.J. (2023), Constructing mixed density functionals for describing dissociative chemisorption on metal surfaces: basic principles, The Journal of Physical Chemistry A 127(49): 10481-10498.
- Smits B. & Somers M. F. (2023), The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: comparing state-of-the-art theory to state-of-the-art experiments 2, The Journal of Chemical Physics 158: 014704.
- Tchakoua T., Powell A.D., Gerrits N., Somers M.F., Doblhoff-Dier K., Busnengo H.F. & Kroes G.J. (2023), Simulating highly activated sticking of H2 on Al(110): quantum versus quasi-classical dynamics, The Journal of Physical Chemistry Part C 127(11): 5395-5407.
- Smits B., Litjens L.G.B. & Somers M.F. (2022), Accurate description of the quantum dynamical surface temperature effects on the dissociative chemisorption of H2 from Cu(111), The Journal of Chemical Physics 156(21): 214706.
- Smits B. & Somers M.F. (2022), The quantum dynamics of H2 on Cu(111) at a surface temperature of 925K: comparing state-of-the-art theory to state-of-the-art experiments, The Journal of Chemical Physics 157(13): 134704.
- Chadwick H., Somers M.F., Stewart A.C., Alkoby Y., Carter T.J.D., Butkovicova D. & Alexandrowicz G. (2022), Stopping molecular rotation using coherent ultra-low-energy magnetic manipulations, Nature Communications 13: 2287.
- 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.
- 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.
- Smits B. & Somers M.F. (2021), Beyond the static corrugation model: dynamic surfaces with the embedded atom method, The Journal of Chemical Physics 154(7): 074710.
- Hansen T., Lebedel L., Remmerswaal W.A., Vorm S. van der, Wander D.P.A., Somers M., Overkleeft H.S., Filippov D.V., Désiré J., Mingot A., Bleriot Y., Marel G.A. van der, Thibaudeau S. & Codée J.D.C. (2019), Defining the SN1 Side of Glycosylation Reactions: Stereoselectivity of Glycopyranosyl Cations, ACS Central Science 5(5): 781-788.
- Nour Ghassemi E., Smeets E.W.F., Somers M.F., Kroes G.J., Groot I.M.N., Juurlink LB.F. & Füchsel G. (2019), Transferability of the Specific Reaction Parameter Density Functional for H2 + Pt(111) to H2 + Pt(211), The Journal of Physical Chemistry C 123(5): 2973-2986.
- Tchakoua T., Smeets E.W.F., Somers M.F. & Kroes G.J. (2019), Toward a Specific Reaction Parameter Density Functional for H2 + Ni(111): Comparison of Theory with Molecular Beam Sticking Experiments, The Journal of Physical Chemistry C 123(33): 20420-20433.
- Ghassemi E.N., Somers M.F. & Kroes G.J. (2019), Assessment of Two Problems of Specific Reaction Parameter Density Functional Theory: Sticking and Diffraction of H-2 on Pt(111), The Journal of Physical Chemistry Part C 123(16): 10406-10418.
- Spiering P., Wijzenbroek M. & Somers M.F. (2018), An improved static corrugation model, The Journal of Chemical Physics 149(23): 234702.
- Ghassemi E.N., Somers M.F. & Kroes G.J. (2018), Test of the transferability of the specific reaction parameter functional for H2 + Cu(111) to D2 + Ag(111), The Journal of Physical Chemistry C 122(40): 22939-22952.
- 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.
- Nour-Ghassemi E., Wijzenbroek M., Somers M.F. & Kroes G.J. (2017), Chemically accurate simulation of dissociative chemisorption of D2 on Pt(111), Chemical Physics Letters 683: 329–335.
- Cueto M. del, Muzas A.S., Somers M.F., Kroes G.J., Díaz C. & Martín F. (2017), Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions, Physical Chemistry Chemical Physics 19(25): 16317-16322.
- Muzas A.S., Cueto M. del, Gatti F., Somers M.F., Kroes G.J., Martín F. & Díaz C. (2017), H2/LiF(001) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface, Physical Review B: Condensed Matter 96(20): 205432.
- Wijzenbroek M., Klein D.M., Smits B., Somers M.F. & Kroes G.J. (2015), Performance of a Non-Local Van der Waals Density Functional on the Dissociation of H2 on Metal Surfaces, The Journal of Physical Chemistry A 119(50): 12146–12158.
- Sementa L., Wijzenbroek M., Van Kolck B.J., Somers M.F., Al-Halabi A., Busnengo H.F., Olsen R.A., Kroes G.J., Rutkowski M., Thewes C., Kleimeier N.F. & Zacharias H. (2013), Reactive scattering of H-2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment, The Journal of Chemical Physics 138(4): 044708.
- Bonfanti M., Somers M.F., Diaz Cristina, Busnengo H.F. & Kroes G.J. (2013), 7D Quantum Dynamics of H-2 Scattering from Cu(111): The Accuracy of the Phonon Sudden Approximation, Zeitschrift für Physikalische Chemie 227: 1397-1420.
- Boereboom J.M., Wijzenbroek M., Somers M.F. & Kroes G.J. (2013), Towards a specific reaction parameter density functional for reactive scattering of H2 from Pd(111), The Journal of Chemical Physics 139: 244707.
- Chen J.C., Ramos M., Arasa C., Juanes-Marcos J.C., Somers M.F., Martinez A.E., Diaz C., Olsen R.A. & Kroes G.J. (2012), Dynamics of H-2 dissociation on the 1/2 ML c(2 x 2)-Ti/Al(100) surface, Physical Chemistry Chemical Physics 14(9): 3234-3247.
- Thomas P.S., Somers M.F., Hoekstra A.W. & Kroes G.J. (2012), Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H-2 from Pt(111) and Cu(111) surfaces, Physical Chemistry Chemical Physics 14(24): 8628-8643.
- Wijzenbroek M. & Somers M.F. (2012), Static surface temperature effects on the dissociation of H-2 and D-2 on Cu(111), The Journal of Chemical Physics 137(5): 054703.
- Bonfanti M., Diaz C., Somers M.F. & Kroes G.J. (2011), Hydrogen dissociation on Cu(111): the influence of lattice motion. Part I, Physical Chemistry Chemical Physics 13(10): 4552.
- Chen J.C., Juanes-Marcos J.C., Woittequand S., Somers M.F., Diaz C., Olsen R.A. & Kroes G.J. (2011), Six-dimensional quasiclassical and quantum dynamics of H(2) dissociation on the c(2 x 2)-Ti/Al(100) surface, The Journal of Chemical Physics 134(11): 114708.
- Nieto P., Farias D., Miranda R., Luppi M., Baerends E.J., Somers M.F., Van der Niet M.J.T.C., Olsen R.A. & Kroes G.J. (2011), Diffractive and reactive scattering of H(2) from Ru(0001): experimental and theoretical study, Physical Chemistry Chemical Physics 13(18): 8583-8597.
- Groot I.M.N., Juanes-Marcos J.C., Diaz C., Somers M.F., Olsen R.A. & Kroes G.J. (2010), Dynamics of dissociative adsorption of hydrogen on a CO-precovered Ru(0001) surface: a comparison of theoretical and experimental results, Physical Chemistry Chemical Physics 12(6): 1331-1340.
- Laurent G., Barredo D., Farias D., Miranda R., Diaz C., Riviere P., Somers M.F. & Martin F. (2010), Experimental and theoretical study of rotationally inelastic diffraction of D-2 from NiAl(110), Physical Chemistry Chemical Physics 12(43): .
- Riviere P., Somers M.F., Kroes G.J. & Martin F. (2006), Quantum dynamical study of the H-2 and D-2 dissociative adsorption and diffraction from the NiAl (110) alloy surface, PHYSICAL REVIEW B 73(20): .
- Diaz C., Busnengo H.F., Riviere P., Farias D., Nieto P., Somers M.F., Kroes G.J., Salin A. & Martin F. (2005), A classical dynamics method for H-2 diffraction from metal surfaces, The Journal of Chemical Physics 122(15): 154706.
- Nave S., Lemoine D., Somers M.F., Kingma S.M. & Kroes G.J. (2005), Six-dimensional quantum dynamics of (v=0,j=0)D-2 and of (v=1,j=0)H-2 scattering from Cu(111), The Journal of Chemical Physics 122(21): .
- Nave S., Lemoine D., Somers M.F., Kingma S.M. & Kroes G.J. (2005), Publisher's Note: "Six-dimensional quantum dynamics of (v=0, j=0)D-2 and of (v=1, j=0)H-2 scattering from Cu(111)" (vol 122, pg 214709, 2005), The Journal of Chemical Physics 123(7): .
- Kroes G.J. & Somers M.F. (2005), Six-dimensional dynamics of dissociative chemisorption of H-2 on metal surfaces, Journal of Theoretical & Computational Chemistry 4(2): 493-581.
- Diaz C., Somers M.F., Kroes G.J., Busnengo H.F., Salin A. & Martin F. (2005), Quantum and classical dynamics of H-2 scattering from Pd(111) at off-normal incidence, Physical Review B: Condensed Matter 72(3): .
- Somers M.F. (31 March 2004), Six-Dimensional Quantum Dynamics of Dissociative Chemisorption of Hydrogen on Metal Surfaces (Dissertatie. Leiden Institute of Chemistry, Faculty of Science, Leiden University). Supervisor(s): Kroes G.J.
- Kingma S.M., Somers M.F., Pijper E., Kroes G.J., Olsen R.A. & Baerends E.J. (2003), Diffractive and reactive scattering of (v=0, j=0) HD from Pt(111): Six-dimensional quantum dynamics compared with experiment, The Journal of Chemical Physics 118: 4190-4197.
- Kingma S.M., Somers M.F., Pijper E., Kroes G.J., Olsen R.A. & Baerends E.J. (2003), Diffractive and reactive scattering of (v=0, j=0)HD from Pt(111): six-dimensional quantum dynamics compared with experiment, The Journal of Chemical Physics 118(9): 4190-4197.
- Somers M.F., McCormack D.A., Kroes G.J., Olsen R.A., Baerends E.J. & Mowrey R.C. (2002), Signatures of site-specific reaction of H2 on Cu(100), The Journal of Chemical Physics 117: 6673-6687.
- Olsen R.A., Busnengo H.F., Salin A., Somers M.F., Kroes G.J. & Baerends E.J. (2002), Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H2 + Pt(111) and H2 + Cu(100), The Journal of Chemical Physics 116: 3841.
- Busnengo H.F., Pijper E., Somers M.F., Kroes G.J., Salin A., Lemoine D. & Dong W. (2002), Six-dimensional quantum and classical dynamics study of H2 (v=0,j=0) scattering from Pd(111), Chemical Physics Letters 356: 515-522.
- Somers M.F., Kingma S.M., Pijper E., Kroes G.J. & Lemoine D. (2002), Six-dimensional quantum dynamics of scattering of (v=0,j=0) H2 from Cu(111); test of two LEPS potential energy surfaces, Chemical Physics Letters 360: 390-399.
- Pijper E., Somers M.F., Kroes G.J., Baerends E.J., Olsen R.A., Busnengo H.F., Salin A. & Lemoine D. (2001), Six-dimensional quantum dynamics of scattering of (v=0, j=0) H2 from Pt(111): comparison to experiment and to classical dynamics results, Chemical Physics Letters 347: 277-284.