| Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics DV Makhov, WJ Glover, TJ Martinez, DV Shalashilin The Journal of chemical physics 141 (5), 2014 | 211 | 2014 |
| The phase space CCS approach to quantum and semiclassical molecular dynamics for high-dimensional systems DV Shalashilin, MS Child Chemical physics 304 (1-2), 103-120, 2004 | 188 | 2004 |
| Quantum mechanics with the basis set guided by Ehrenfest trajectories: Theory and application to spin-boson model DV Shalashilin The Journal of chemical physics 130 (24), 2009 | 166 | 2009 |
| Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine DV Shalashilin The Journal of chemical physics 132 (24), 2010 | 160 | 2010 |
| On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method K Saita, DV Shalashilin The Journal of chemical physics 137 (22), 2012 | 158 | 2012 |
| Multidimensional quantum propagation with the help of coupled coherent states DV Shalashilin, MS Child The Journal of Chemical Physics 115 (12), 5367-5375, 2001 | 134 | 2001 |
| Time dependent quantum propagation in phase space DV Shalashilin, MS Child The Journal of Chemical Physics 113 (22), 10028-10036, 2000 | 133 | 2000 |
| Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach DV Makhov, C Symonds, S Fernandez-Alberti, DV Shalashilin Chemical Physics 493, 200-218, 2017 | 115 | 2017 |
| Eley–Rideal and hot-atom reactions of H (D) atoms with D (H)-covered Cu (111) surfaces; quasiclassical studies DV Shalashilin, B Jackson, M Persson The Journal of chemical physics 110 (22), 11038-11046, 1999 | 108 | 1999 |
| Boxed molecular dynamics: a simple and general technique for accelerating rare event kinetics and mapping free energy in large molecular systems DR Glowacki, E Paci, DV Shalashilin The Journal of Physical Chemistry B 113 (52), 16603-16611, 2009 | 94 | 2009 |
| A first-principles potential energy surface for Eley–Rideal reaction dynamics of H atoms on Cu (111) M Persson, J Strömquist, L Bengtsson, B Jackson, DV Shalashilin, ... The Journal of chemical physics 110 (4), 2240-2249, 1999 | 93 | 1999 |
| Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables DV Shalashilin, I Burghardt The Journal of chemical physics 129 (8), 2008 | 91 | 2008 |
| Real time quantum propagation on a Monte Carlo trajectory guided grids of coupled coherent states: 26D simulation of pyrazine absorption spectrum DV Shalashilin, MS Child The Journal of chemical physics 121 (8), 3563-3568, 2004 | 91 | 2004 |
| Basis set sampling in the method of coupled coherent states: Coherent state swarms, trains, and pancakes DV Shalashilin, MS Child The Journal of chemical physics 128 (5), 2008 | 85 | 2008 |
| Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging DV Makhov, K Saita, TJ Martinez, DV Shalashilin Physical Chemistry Chemical Physics 17 (5), 3316-3325, 2015 | 78 | 2015 |
| Formation and dynamics of hot-precursor hydrogen atoms on metal surfaces: Trajectory simulations and stochastic models DV Shalashilin, B Jackson The Journal of chemical physics 109 (7), 2856-2864, 1998 | 75 | 1998 |
| Eley–Rideal and hot-atom dynamics of HD formation by H (D) incident from the gas phase on D (H)-covered Cu (111) DV Shalashilin, B Jackson, M Persson Faraday Discussions 110, 287-300, 1998 | 74 | 1998 |
| Ultrafast X-ray scattering from molecules A Kirrander, K Saita, DV Shalashilin Journal of chemical theory and computation 12 (3), 957-967, 2016 | 65 | 2016 |
| Monte Carlo variational transition-state theory study of the unimolecular dissociation of RDX DV Shalashilin, DL Thompson The Journal of Physical Chemistry A 101 (5), 961-966, 1997 | 63 | 1997 |
| Description of tunneling with the help of coupled frozen Gaussians DV Shalashilin, MS Child The Journal of Chemical Physics 114 (21), 9296-9304, 2001 | 62 | 2001 |
