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Michael Filatov

Showing results (41-50 of 104) with videos related to

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The Journal of Chemical Physics|July 24, 2017
Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalismMichael Filatov, Fang Liu, Todd J Martínez
The Journal of Chemical Physics|May 17, 2015
Ensemble density functional theory method correctly describes bond dissociation, excited state electron transfer, and double excitationsMichael Filatov, Miquel Huix-Rotllant, Irene Burghardt
The Journal of Chemical Physics|August 17, 2017
Description of ground and excited electronic states by ensemble density functional method with extended active spaceMichael Filatov, Todd J Martínez, Kwang S Kim
ACS Applied Materials & Interfaces|May 24, 2022
Accelerated Deep Learning Dynamics for Atomic Layer Deposition of Al(Me)<sub>3</sub> and Water on OH/Si(111)Hiroya Nakata, Michael Filatov Gulak, Cheol Ho Choi
Physical Chemistry Chemical Physics : PCCP|March 8, 2016
Using the GVB Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairsMichael Filatov, Todd J Martínez, Kwang S Kim
Journal of Chemical Theory and Computation|July 28, 2018
Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium CationMichael Filatov, Seung Kyu Min, Kwang S Kim
The Journal of Chemical Physics|April 16, 2024
Formulation of transition dipole gradients for non-adiabatic dynamics with polaritonic statesIn Seong Lee, Michael Filatov, Seung Kyu Min
Inorganic Chemistry|February 14, 2013
Removal of mercury from the environment: a quantum-chemical study with the normalized elimination of the small component methodWenli Zou, Michael Filatov, David Atwood, et al.
Nature Communications|May 16, 2025
Dynamics of a light-driven molecular rotary motor in an optical cavityIn Seong Lee, Michael Filatov, Seung Kyu Min
Physical Chemistry Chemical Physics : PCCP|November 19, 2020
Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variantsHong Zhu, Chun Gao, Michael Filatov, et al.
Pageof 11

Showing results (41-50 of 104) with videos related to

Sort By:
Pageof 11
The Journal of Chemical Physics|July 24, 2017
Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalismMichael Filatov, Fang Liu, Todd J Martínez
The Journal of Chemical Physics|May 17, 2015
Ensemble density functional theory method correctly describes bond dissociation, excited state electron transfer, and double excitationsMichael Filatov, Miquel Huix-Rotllant, Irene Burghardt
The Journal of Chemical Physics|August 17, 2017
Description of ground and excited electronic states by ensemble density functional method with extended active spaceMichael Filatov, Todd J Martínez, Kwang S Kim
ACS Applied Materials & Interfaces|May 24, 2022
Accelerated Deep Learning Dynamics for Atomic Layer Deposition of Al(Me)<sub>3</sub> and Water on OH/Si(111)Hiroya Nakata, Michael Filatov Gulak, Cheol Ho Choi
Physical Chemistry Chemical Physics : PCCP|March 8, 2016
Using the GVB Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairsMichael Filatov, Todd J Martínez, Kwang S Kim
Journal of Chemical Theory and Computation|July 28, 2018
Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium CationMichael Filatov, Seung Kyu Min, Kwang S Kim
The Journal of Chemical Physics|April 16, 2024
Formulation of transition dipole gradients for non-adiabatic dynamics with polaritonic statesIn Seong Lee, Michael Filatov, Seung Kyu Min
Inorganic Chemistry|February 14, 2013
Removal of mercury from the environment: a quantum-chemical study with the normalized elimination of the small component methodWenli Zou, Michael Filatov, David Atwood, et al.
Nature Communications|May 16, 2025
Dynamics of a light-driven molecular rotary motor in an optical cavityIn Seong Lee, Michael Filatov, Seung Kyu Min
Physical Chemistry Chemical Physics : PCCP|November 19, 2020
Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variantsHong Zhu, Chun Gao, Michael Filatov, et al.
Pageof 11