Dmitrii Shalashilin
机构: Professor of Computational Chemistry, University of Leeds
主页: leeds.ac.uk
每年引用次数
引用次数
引用: 3,781
H-指数: 33
I10-指数 : 70
出版物: 147
Adaptively Accelerating Reactive Molecular Dynamics Using Boxed Molecular Dynamics in Energy Space.
Robin J. Shannon , Silvia Amabilino , Mike O’Connor , Dmitrii V. Shalishilin
Journal of Chemical Theory and Computation 14 ( 9) 4541 -4552
19
2018
Quantum hydrodynamics for mixed states.
I. Burghardt , S.M. Parry , K.H. Hughes , M.P. De Miranda
CCP, Daresbury 74 -76
2009
The quasiclassical approximation in Delos—Thorson close-coupled equations for inelastic scattering
D.V. Shalashilin , A.V. Michtchenko , F. Lara
Chemical Physics Letters 207 ( 2-3) 250 -256
5
1993
Vibronic approach to dynamics of charge transfer in the [ArN2]+ system
E.E. Nikitin , M.Ya. Ovchinnikova , D.V. Shalashilin
Chemical Physics 111 ( 2) 313 -326
23
1987
Close coupled equations for inelastic scattering in the quasiclassical approximation. The equations for normalized amplitudes
D.V. Shalashilin
Chemical Physics Letters 233 ( 1) 161 -166
3
1995
Computational data for the simulation of cases of the Spin Boson Model using the Multiconfigurational Ehrenfest method - dataset
Christopher Symonds , Dmitry Shalashilin
University of Leeds
2019
New methods: general discussion.
Vijay Beniwal , Peter G. Bolhuis , Christoph Dellago , John Ellis
Faraday Discussions 195 521 -556
2016
Application to large systems: general discussion.
Stuart Althorpe , Gonzalo Angulo , Raymond Dean Astumian , Vijay Beniwal
Faraday Discussions 195 671 -698
1
2016
Fundamentals: general discussion.
Stuart C. Althorpe , Vijay Beniwal , Peter G. Bolhuis , João Brandão
Faraday Discussions 195 139 -169
1
2016
Non-adiabatic reactions: general discussion
Stuart C. Althorpe , Nandini Ananth , Gonzalo Angulo , Raymond Dean Astumian
Faraday Discussions 195 311 -344
10
2016
Data associated with “Ultrafast Photodissociation Dynamics of 2-Ethylpyrrole: Adding Insight to Experiment With Ab Initio Multiple Cloning”
James Green , Dmitry Makhov , Neil Cole-Filipiak , Christopher Symonds
University of Leeds
2019
How to describe quantum interferences to separate Nuclear Spin Isomers
Sandra Gomez Rodriguez , Markus Oppel , C Symonds , Dmitry Shalashilin
WATOC 2017: 11th Triennial Congreass of the World Association of Theoretical and Computational Chemists
2017
Preserve Non-Stationary Long-Term Dynamics via Selected Incomplete Dual Bases
Hsiao-Han Chuang , Jonathan Rawlinson , Dmitry Shalashilin
arXiv preprint arXiv:2306.07407
2023
Data to support ‘Simulation of protein pulling dynamics on second time scale with boxed molecular dynamics’
Sarah Mapplebeck , Dmitry Shalashilin
University of Leeds
2021
Data associated with" Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states"
James Green , Dmitry Shalashilin
University of Leeds
2019
Quantum Simulations with Coupled Coherent States. From vibrational dynamics to electron dynamics in strong laser field
Dmitry Shalashilin
Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence.
Dmitry V. Makhov , Dmitrii Shalashilin , Sergei Tretiak , Sebastian Fernandez-Alberti
Journal of Physical Chemistry Letters 12 ( 11) 2970 -2982
1
2021
Modeling of quantum-information processing with Ehrenfest guided trajectories: A case study with spin-boson-like couplings
Sai-Yun Ye , Dmitrii Shalashilin , Alessio Serafini
Physical Review A 86 ( 3) 032312
8
2012
An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules
Victor M. Freixas , Sebastian Fernandez-Alberti , Dmitry V. Makhov , Sergei Tretiak
Physical Chemistry Chemical Physics 20 ( 26) 17762 -17772
11
2018
Data associated with'Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging'
Dmitry Makhov , Kenichiro Saita , Todd Martinez , Dmitrii Shalashilin
University of Leeds
2018