Topics


    Dynamics in Nanostructures:

     [31, 32, 37, 39, 41]

    Electric Field Control in the Condensed Phase:

     [7, 8, 9, 10, 17, 19, 21, 23, 28, 32, 39, 41]

    Imaging Electron Dynamics:

     [34, 36, 39, 42, 43, 46, 47]

    Laser-Induced Charge Migration:

     [8, 12, 15, 16, 32, 36, 38, 39, 42, 43, 44]

    Non-Adiabatic Dynamics at Metals:

     [7, 10, 13, 14, 16, 17, 18, 19, 20, 21, 23, 24, 26, 27, 28, 30]

    Scanning Tunnelling Microscopy:

     [22, 29, 30, 40, 45]

    Vibrational Spectroscopy:

     [3, 5, 7, 11, 25, 33]

Publications


  1. G. Hermann, F. Witte, and J.C. Tremblay “Comparison of Donor-Acceptor π-Conjugated Dyes in Model Solar Cells: A Study of Interfacial Ultrafast Electron Migration”, submitted, (2017).
  2. G. Hermann, V. Pohl, and J.C. Tremblay “An Open-Source Framework for Analyzing N-Electron Dynamics: II. Hybrid Density Functional Theory/Configuration Interaction Methodology”, J. Comput. Chem. accepted, (2017).
  3. V. Pohl, G. Hermann, and J.C. Tremblay “An Open-Source Framework for Analyzing N-Electron Dynamics: I. Multi-Determinantal Wave Functions”, J. Comput. Chem. 38, 1515 (2017).
  4. D. Novko, M. Blanco-Rey , and J.C. Tremblay “Intermode Coupling Drives the Irreversible Tautomerization in Porphycene on Copper(111) Induced by Scanning Tunnelling Microscopy”, J. Phys. Chem. Lett. 8, 1053 (2017).
  5. G. Hermann, C. Liu, J. Manz, B. Paulus, V. Pohl, and J.C. Tremblay “Attosecond angular flux of partial charges on the carbon atoms of benzene in non-aromatic excited state”, Chem. Phys. Lett. in press, (2017).
  6. D. Jia, J. Manz, B. Paulus, V. Pohl, J.C. Tremblay, and Y. Yang “Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzene”, Chem. Phys. 482, 146 (2017).
  7. J.C. Tremblay “Wellenfunktionsmethoden für ultraschnelle Elektronendynamik”, Nachrichten aus der Chemie 65, 343 (2017)
  8. V. Pohl and J.C. Tremblay “Field-Induced Conformational Change in a Single-Molecule-Graphene-Nanoribbon Junction: The Effect of Vibrational Energy Redistribution”, J. Phys. Chem. C 120, 28808 (2016).
  9. D. Novko, J.C. Tremblay, and M. Blanco-Rey “On the tautomerisation of porphycene on copper (111): Finding the subtle balance between van der Waals interactions and hybridisation”, J. Chem. Phys. 145, 244701 (2016).
  10. G. Hermann and J.C. Tremblay “Ultrafast photoelectron migration in dye-sensitized solar cells: influence of the binding mode and many-body interactions”, J. Chem. Phys. 145, 174704 (2016).
  11. S. Klinkusch and J.C. Tremblay “Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields”, J. Chem. Phys. 144, 184108 (2016).
  12. K. Töpfer and J.C. Tremblay “How surface reparation prevents catalytic CO oxidation on atomic gold at defective MgO(001)”, Phys. Chem. Chem. Phys. 18, 18590 (2016).
  13. G. Hermann, C. Liu, J. Manz, B. Paulus, J.F. Pérez-Torres, V. Pohl, and J.C. Tremblay “Multi-directional Angular Electron Flux During Adiabatic Attosecond Charge Migration in Excited Benzene”, J. Phys. Chem. A 120, 5360 (2016).
  14. V. Pohl and J.C. Tremblay “Adiabatic electronic flux density: a Born-Oppenheimer Broken Symmetry ansatz”, Phys. Rev. A 93, 012504 (2016).
  15. G. Hermann, V. Pohl, J.C. Tremblay, B. Paulus, H.-C. Hege, and A. Schild “ORBKIT - A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum Chemical Wavefunction Data”, J. Comput. Chem. 37, 1511 (2016).
  16. L. Cruz-Rodríguez, J.C. Tremblay, A. Martínez-Mesa,and L. Uranga-Piña “A Chebychev expansion of hydrodynamical fields for ultrafast wave packet dynamics”, Comp. Theor. Chem. 1078, 104 (2016).
  17. G. Hermann and J.C. Tremblay “Laser-driven hole trapping in a Ge/Si core-shell nanocrystal: an atomistic configuration interaction perspective”, J. Phys. Chem. C119, 25606 (2015).
  18. T. Gómez, G. Hermann, X. Zárate, J.F. Pérez-Torres, and J.C. Tremblay “Imaging the ultrafast electron transfer in alizarine-TiO2”, Molecules 20, 13830 (2015).
  19. J.C. Tremblay and M. Blanco-Rey “Manipulating Interfacial Hydrogens at Palladium via STM”, Phys. Chem. Chem. Phys. 17, 13973 (2015).
  20. M. Blanco-Rey and J.C. Tremblay “Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields”, J. Chem. Phys. 142, 154704 (2015).
  21. J.C. Tremblay “Vibrational Quantum Dynamics at Metallic Surfaces”, in book: Specialist Periodical Reports on Chemical Modelling: Applications and Theory, Edition: Jan-Ole Joswig and Michael Springborg, Publisher: The Royal Society of Chemistry, DOI: 10.1039/9781782622703.
  22. G. Füchsel, J.C. Tremblay, T. Klamroth, and P. Saalfrank “Quantum dynamical simulations of the femtosecond laser induced ultrafast desorption of H2 and D2 from Ru(0001)”, ChemPhysChem 14, 1471 (2013)
  23. L. Uranga-Piña and J.C. Tremblay “Intramolecular vibrational energy redistribution in the relaxation dynamics of two CO on Cu(100)”, Rev. Cub. Phys. 31, 41 (2014).
  24. G. Füchsel, J.C. Tremblay, and P. Saalfrank “A six-dimensional potential energy surface for Ru(0001)(2x2):CO”, J. Chem. Phys. 141, 094704 (2014)
  25. L. Uranga-Piña and J.C. Tremblay “Relaxation dynamics in quantum dissipative systems: the microscopic effect of IVR”, J. Chem. Phys. 141, 074703 (2014).
  26. J.C. Tremblay “Laser-driven quantum dynamics in dissipative media”, Bunsen-Magazin 6, 290 (2013)
  27. J.C. Tremblay “A unifying model for non-adiabatic coupling at metallic surfaces beyond the local harmonic approximation: from vibrational relaxation to scanning tunneling microscopy”, J. Chem. Phys. 138, 244106 (2013)
  28. P. Saalfrank, G. Füchsel, S. Monturet, J.C. Tremblay, and, T. Klamroth “Theory of non-adiabatic molecular dynamics at surfaces : Laser induced processes”, in book: Dynamics of gas/surface interactions, atomic level understanding of scattering processes at surfaces, Edition: Springer Series in Surface Science, Publisher: Springer, ISBN: 978-3-642-32954-8.
  29. G. Füchsel, J.C. Tremblay, T. Klamroth, and P. Saalfrank “Concept of a Single Temperature for Highly Nonequilibrium Laser-Induced Hydrogen Desorption from a Ruthenium Surface”, Phys. Rev. Lett. 109, 098303 (2012).
  30. J.C. Tremblay, G. Füchsel, and P. Saalfrank “Excitation, Relaxation, and Quantum Diffusion of CO on Copper”, Phys. Rev. B 86, 045438 (2012).
  31. G. Füchsel, J.C. Tremblay, T. Klamroth, and P. Saalfrank “Selective vibrational excitation in dissipative environments: Studies of the vibrational motion of H2 and D2 on Ru(0001)”, Israel Journal of Chemistry 52, 438 (2012).
  32. J.C. Tremblay, S. Monturet, and P. Saalfrank “The Effects of Electron-Hole Pair Coupling on the Infrared Laser-Controlled Vibrational Excitation of NO on Au(111)”, J. Phys. Chem. A 115, 10698 (2011).
  33. J.C. Tremblay “Laser control of molecular excitations in stochastic dissipative media”, J. Chem. Phys. 134, 174111 (2011); selected for the June 2011 issue of the Virtual Journal of Ultrafast Science 10 (6).
  34. J.C. Tremblay, S. Klinkusch, T. Klamroth, and P. Saalfrank “Dissipative many-electron dynamics of ionizing systems”, J. Chem. Phys. 134, 044311 (2011); selected for the February 2011 issue of the Virtual Journal of Ultrafast Science 10 (2).
  35. J.C. Tremblay, S. Monturet, and P. Saalfrank “Electronic Damping of Adsorbate Vibrations at Metallic Surfaces”, Phys. Rev. B 81, 125408 (2010).
  36. G. Füchsel, T. Klamroth, J.C. Tremblay, and P. Saalfrank “Stochastic approach to laser-induced ultrafast dynamics: The desorption of H2/D2 from Ru(0001)”, Phys. Chem. Chem. Phys. 12, 14082 (2010).
  37. J.C. Tremblay, P. Krause, T. Klamroth, and P. Saalfrank “The effect of energy and phase relaxation on dynamic polarizability calculations”, Phys. Rev. A 81, 063420 (2010).
  38. R. Marquardt, F. Cuvelier, R.A. Olsen, E.J. Baerends, J.C. Tremblay, and P. Saalfrank “A new analytical potential energy surface for the adsorption system CO/Cu(100)”, J. Chem. Phys. 132, 074108 (2010).
  39. J.C. Tremblay and P. Saalfrank “Selective subsurface absorption of hydrogen in palladium using laser distillation”, J. Chem. Phys. 131, 084716 (2009).
  40. J.C. Tremblay and P. Saalfrank “Guided locally optimal control of quantum dynamics in dissipative environments”, Phys. Rev. A 78, 063408 (2008) ; selected for the January 2009 issue of the Virtual Journal of Ultrafast Science 8 (1).
  41. J.C. Tremblay, T. Klamroth, and P. Saalfrank “Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation”, J. Chem. Phys. 129, 084302 (2008); selected for the September 2008 issue of the Virtual Journal of Ultrafast Science 7 (9).
  42. J.C. Tremblay, S. Beyvers, and P. Saalfrank “Selective infrared excitation of CO on Cu(100) in many dimensions via optimal control theory”, J. Chem. Phys. 128, 194709 (2008).
  43. J.C. Tremblay and T. Carrington Jr. “A refined unsymmetric Lanczos eigensolver for computing accurate eigentriplets of a real unsymmetric matrix”, Electronic Transactions on Numerical Analysis 28, 95 (2007).
  44. J.C. Tremblay and T. Carrington Jr. “Calculating vibrational energies and wave functions of vinylidene using a contracted basis with a locally reorthogonalized coupled two-term Lanczos eigensolver”, J. Chem. Phys. 125, 094311 (2006).
  45. R. Reviakine, A.V. Arbuznikov, J.C. Tremblay, C. Remenyi, O.L. Malkina, V.G. Malkin, and M. Kaupp “Calculation of Zero-Field Splitting Parameters. Comparison of a Two-Component Non-Collinear Density Functional Method and a One-Component Perturbational Approach”, J. Chem. Phys. 125, 054110 (2006).
  46. J.C. Tremblay and T. Carrington Jr. “Computing resonance energies, widths, and wave functions using a Lanczos method in real arithmetic”, J. Chem. Phys. 122, 244107 (2005).
  47. J.C. Tremblay and T. Carrington Jr. “Using preconditioned adaptive step size Runge-Kutta methods for solving the time-dependent Schrödinger equation”, J. Chem. Phys. 121, 11535 (2004).
  48. R. Beaulac, J.C. Tremblay, G. Bussière, and C. Reber “Application of Near-Infrared Luminescence Spectroscopy to Vanadium(III) Complexes. Characterization of their Electronic Ground State”, Can. J. Anal. Sci. Spect. 46, 152 (2001).


Design adapted from an original idea by bryant smith