Publications
2019:
33. S. van den Wildenberg, B. Mignolet , R. D. Levine, and F. Remacle, Temporal and spatially resolved imaging of the correlated nuclear-electronic dynamics and of the ionized photoelectron in a coherently electronically highly excited vibrating LiH molecule, J. Chem. Phys. 2019 151, 134310
32. G. Emonds-Alt, B. Mignolet, C. Malherbe, J-C Monbaliu, F. Remacle and G. Eppe, Understanding chemical interaction between phosphonate-derivative molecules and a silver surface cluster in SERS: a combined experimental and computational approach, Phys. Chem. Chem. Phys., 2019,21, 22180.
31. B. Mignolet and B. F. Curchod, Excited-State Molecular Dynamics Triggered by Light Pulses. Ab Initio Multiple Spawning vs Trajectory Surface Hopping, J. Phys. Chem. A, 2019, 123, 3582−3591
30. B. Mignolet and B. F. Curchod, Steering the outcome of a photochemical reaction—An in silico experiment on the H2CSO sulfine using few-femtosecond dump pulses. The Journal of chemical physics, 2019 150(10), 101101.
29. B. Mignolet, B. F. Curchod, F. Remacle, T. J. Martínez, Sub-Femtosecond Stark Control of Molecular Photoexcitation with Near Single-Cycle Pulses. The journal of physical chemistry letters, 2019, 10, 742−747
28. M. Stefanou, H.J. Chandler, B. Mignolet, E. Williams, S. A. Nanoh, J. O. F. Thompson, F. Remacle, R. Schaubb and E. E. B. Campbell, Angle-resolved photoelectron spectroscopy and scanning tunnelling spectroscopy studies of the endohedral fullerene Li@C60. Nanoscale, 2019, 11, 2668-2678
2018:
27. Mignolet, B., Kanno, M., Shimakurac, N., Kosekid, S., Remacle, F, Kono, H., Fujimura, Y. Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum. Chemical physics, 2018, 515, 704.
26. Mignolet, B.and Curchod, B. F. A walk through the approximations of ab initio multiple spawning. The Journal of Chemical Physics 2018,148, 134110.
2017:
25. W.K. Peters, D.E. Couch, B. Mignolet, X. Shi, Q.L. Nguyen, R.C. Fortenberry, H.B. Schlegel, F. Remacle, H.C. Kapteyn, M.M. Murnane, W. Li, Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling, Proceedings of the National Academy of Sciences, 2017, 114, E11072
24. Hanozin, E., Mignolet, B., Morsa, D., Sluysmans, D.,Duwez, A.S., Stoddart, J.F., Remacle, F., De Pauw, E., Where Ion Mobility and Molecular Dynamics Meet to Unravel the (Un) Folding Mechanisms of an Oligorotaxane Molecular Switch, ACS nano 2017, 11 (10), 10253–10263
23. Bohl, E., Mignolet, B., Johansson, J. O., Remacle, F., Campbell, E. E. B. Low-lying, Rydberg States of Polycyclic Aromatic Hydrocarbons (PAHs) and Cyclic Alkanes. Physical Chemistry Chemical Physics 2017, 19, 24090-24099
22. Mignolet, B., Campbell, E. E. B, Remacle, F. Optical activity of the super-atom molecular orbital (SAMO) states in Li@C60+ conformers. AIP Conference Proceedings 2017, 906, 030027
21. Van den Wildenberg, S., Mignolet, B., Levine, R., and Remacle, F. Pumping and probing vibrational modulated coupled electronic coherence in HCN using short UV fs laser pulses: a 2D quantum nuclear dynamical study. Physical Chemistry Chemical Physics 2017, 19, 19837 - 19846
20. Fan, L., Lee, S. K., Tu, Y. J., Mignolet, B., Couch, D., Dorney, K., Schlegel B and Li, W. A new electron-ion coincidence 3D momentum-imaging method and its application in probing strong field dynamics of 2-phenylethyl-N, N-dimethylamine. The Journal of Chemical Physics 2017, 147(1), 013920.
19. Xiong H., Mignolet B., Fang L., Osipov T., Thomas J., Wolf, A., E. Sistrunk , M. Gühr , F. Remacle and N. Berrah. The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field. Scientific Reports 2017, 7, 1.
18. Sun S. T., Mignolet B., Fan L., Li W., Levine R.D. and Remacle F. Nuclear Motion Driven Ultrafast Photodissociative Charge Transfer of the PENNA Cation : An Experimental and Computational Study, The Journal of Physical Chemistry A 2017, 121(7), 1442-1447.
2016:
17. Mignolet, B., Curchod, B. F., and Martínez, T. J. Communication: XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses. The Journal of Chemical Physics 2016, 145(19), 191104.
16. Mignolet, B., and Remacle, F. Time-efficient computation of the electronic structure of the C60 super-atom molecular orbital (SAMO) states in TDDFT, AIP Conference Proceedings 2016, Vol. 1790, No. 1, p. 020015
15. Mignolet, B., Curchod, B. F., and Martínez, T. J. Rich Athermal Ground‐State Chemistry Triggered by Dynamics through a Conical Intersection. Angewandte Chemie 2016, 128(48), 15217-15220.
14. Li, H., Mignolet, B., Wang, Z., Betsch, K. J., Carnes, K. D., Ben-Itzhak, I., ... & Kling, M. F. Transition from SAMO to Rydberg State Ionization in C60 in Femtosecond Laser Fields. The Journal of Physical Chemistry Letters 2016, 7(22), 4677-4682
2015:
13. Bohl, E., Sokół, K. P., Mignolet, B., Thompson, J. O., Johansson, J. O., Remacle, F., & Campbell, E. E. Relative photoionization cross sections of super-atom molecular orbitals (SAMOs) in C60. The Journal of Physical Chemistry A 2015, 119(47), 11504-11508.
12. P. M. Kraus, B. Mignolet, D. Baykusheva, A. Rupenyan, L. Horny, E. F. Penka, G. Grassi, O. I. Tolstikhin, J. Schneider, F. Jensen, L. B. Madsen, A. D. Bandrauk, F. Remacle, and H. J. Wörner. Observation and laser control of attosecond charge migration in ionized iodoacethylene. Science 2015, 350(6262), 790-795.
11. Li, H., Mignolet, B., Wachter, G., Skruszewicz, S., Zherebtsov, S., Süßmann, F., ... & Kling, M. F. Coherent Electronic Wave Packet Motion in C 60 Controlled by the Waveform and Polarization of Few-Cycle Laser Fields. Physical review letters 2015, 114(12), 123004.
10. Oliveira, M. J., Mignolet, B., Kus, T., Papadopoulos, T. A., Remacle, F., & Verstraete, M. J. Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory. Journal of Chemical Theory and Computation 2015, 11(5), 2221-2233.
2014:
9. Mignolet, B.; Levine, R. D.; Remacle, F.: Probing Electronic Dynamics by Ultrafast Pump-Probe Photoelectron Detachment and Ionization: a Dynamical Simulation in LiH. The Journal of Physical Chemistry A 2014, 118 (33), 6721
8. Mignolet, B.; Levine, R. D.; Remacle, F.: Charge Migration in the Bifunctional PENNA Cation Induced and Probed by Ultrafast Ionization: A Dynamical Study. Journal of Physics B: Atomic, Molecular and Optical Physics 2014, 47
7. Mignolet, B.; Levine, R. D.; Remacle, F.: Control of electronic dynamics visualized by angularly resolved photoelectron spectra: An IR pump-XUV attopulse train probe dynamical simulation. Physical Review A (Rapid communication) 2014, 89, 021403
2013:
6. Mignolet, B.; Johansson, J. O.; Campbell, E. E. B.; Remacle, F.: Probing Rapidly-Ionizing Super-Atom Molecular Orbitals in C60: A Computational and Femtosecond Photoelectron Spectroscopy Study. ChemPhysChem 2013, 14, 3332–3340
5. Johansson, J. O.; Bohl, E.; Henderson, G. G.; Mignolet, B.; Dennis, T. J. S.; Remacle, F.; Campbell, E. E. B.: Hot electron production and diffuse excited states in C70, C82, and Sc3N@C80 characterized by angular-resolved photoelectron spectroscopy. The Journal of Chemical Physics 2013, 139, 084309-6.
4. Kuś, T.; Mignolet, B.; Levine, R. D.; Remacle, F.: Pump and Probe of Ultrafast Charge Reorganization in Small Peptides: A Computational Study through Sudden Ionizations. The Journal of Physical Chemistry A 2013. 117 (40), 10513-10525
3. Mignolet, B.; Kùs, T.; Remacle, F.: Imaging Orbitals by Ionization or Electron Attachment: The Role of Dyson Orbitals. In Imaging and Manipulating Molecular Orbitals; Grill, L., Joachim, C., Eds.; Springer Berlin Heidelberg, 2013; pp 41-54.
2012:
2. Mignolet, B.; Levine, R. D.; Remacle, F.: Localized electron dynamics in attosecond-pulse-excited molecular systems: Probing the time-dependent electron density by sudden photoionization. Physical Review A 2012, 86, 053429.
2011:
1. Mignolet, B.; Gijsbertsen A.; Vrakking M. J.; Levine R. D.; Remacle F.: Stereocontrol of attosecond time-scale electron dynamics in ABCU using ultrafast laser pulses: a computational study. Physical chemistry chemical physics : PCCP 2011, 13, 8331.