D
Dmitry V. Makhov
Researcher at University of Leeds
Publications - 15
Citations - 523
Dmitry V. Makhov is an academic researcher from University of Leeds. The author has contributed to research in topics: Ab initio & Excited state. The author has an hindex of 8, co-authored 14 publications receiving 415 citations. Previous affiliations of Dmitry V. Makhov include University of Bristol.
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Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics
TL;DR: A new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of abinitio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest methods, and explores the use of time-displaced basis sets, "trains," as a means of expanding the basis set for little cost.
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Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach
TL;DR: The Multiconfigurational Ehrenfest (MCE) method as mentioned in this paper is a quantum dynamics technique which allows treatment of a large number of quantum nuclear degrees of freedom, and it has been applied in many applications.
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Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging
TL;DR: This work reports a detailed computational simulation of the photodissociation of pyrrole using the ab initio Multiple Cloning (AIMC) method implemented within MOLPRO and suggests that ultrafast dynamics contributes significantly to both low and high energy portions of the TKER spectrum.
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Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach
TL;DR: A comparative analysis of the results obtained using MCE-TDDB, the conventional Ehrenfest method and the surface-hopping approach with and without decoherence corrections is presented.
Journal ArticleDOI
An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules
Victor M. Freixas,Sebastian Fernandez-Alberti,Dmitry V. Makhov,Dmitry V. Makhov,Sergei Tretiak,Dmitrii V. Shalashilin +5 more
TL;DR: A new implementation of the Ab Initio Multiple Cloning (AIMC) method is presented, which is applied for non-adiabatic excited-state molecular dynamics simulations of photoinduced processes in conjugated molecules.