Excited-State Molecular Dynamics Triggered by Light Pulses–Ab Initio Multiple Spawning vs Trajectory Surface Hopping

B. Mignolet and B. Curchod. J. Phys. Chem. A, 2019, 123, 3582−3591

Communication: Steering the outcome of a photochemical reaction – an in-silico experiment on the H2CSO sulfine using few-femtosecond dump pulses

B. Mignolet and B. Curchod. The Journal of Chemical Physics, 2019, 150, 101101,

Sub-Femtosecond Stark Control of Molecular Photoexcitation with

Near Single-Cycle Pulses

B. Mignolet, B. Curchod, F. Remacle, T. Martinez, J. Phys. Chem. Lett. 2019, 10, 4, 742-747

Angle-resolved photoelectron spectroscopy and scanning tunnelling spectroscopy studies of the endohedral fullerene Li@C60

M. Stefanou, H.J. Chandler, B. Mignolet, et al. Nanoscale, 2019, 11 , 2668

A walk through the approximations of ab initio multiple spawning

B. Mignolet and B. Curchod. The Journal of Chemical Physics 2018,148, 134110.

Where Ion Mobility and Molecular Dynamics Meet To Unravel the (Un)Folding Mechanisms of an Oligorotaxane Molecular Switch

E. Hanozin, B. Mignolet, D. Morsa, D. Sluysmans, A.-S. Duwez, J.F. Stoddart, F. Remacle, E. De Pauw, ACS Nano, 2017, 11 (10), pp 10253–10263

Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling

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, Proceedings of the National Academy of Sciences, 2017, 114, 11072-E11081.

XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses

B. Mignolet, B.F.E. Curchod, T.J. Martínez, The journal of chemical physics, 2016, 145, 191104.

Rich Athermal Ground-State Chemistry Triggered by Dynamics through a Conical Intersection