List of works - Michael Filatov

A Plausible Mechanism of Uracil Photohydration Involves an Unusual Intermediate

scientific article published in 2022

Accelerated Deep Learning Dynamics for Atomic Layer Deposition of Al(Me)3 and Water on OH/Si(111)

scientific article published in 2022

Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin-Flip Time-Dependent DFT (MRSF-TD-DFT) vs Spin-Flip TD-DFT

scientific article published on 19 July 2019

Description of Sudden Polarization in the Excited Electronic States with an Ensemble Density Functional Theory Method

scientific article published on 28 July 2021

Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors

scientific article published on 16 April 2019

Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation

scientific article published on 16 August 2018

Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process

scientific article published in 2022

Fast and Accurate Computation of Nonadiabatic Coupling Matrix Elements Using the Truncated Leibniz Formula and Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory

scientific article published in 2021

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach

scientific article published on 24 April 2019

Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound

scientific article published on 21 August 2018

How Beneficial Is the Explicit Account of Doubly-Excited Configurations in Linear Response Theory?

scientific article published on 04 January 2021

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and Diradicaloids

scientific article published on 05 January 2021

Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variants

scientific article published on 19 November 2020

Performance Analysis and Optimization of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) for Vertical Excitation Energies and Singlet-Triplet Energy Gaps

scientific article published on 05 September 2019

Structural or population dynamics: what is revealed by the time-resolved photoelectron spectroscopy of 1,3-cyclohexadiene? A study with an ensemble density functional theory method

scientific article published on 27 July 2020

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

scientific article published in 2023

List of works by Michael Filatov

A Plausible Mechanism of Uracil Photohydration Involves an Unusual Intermediate

Accelerated Deep Learning Dynamics for Atomic Layer Deposition of Al(Me)<sub>3</sub> and Water on OH/Si(111)

Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin-Flip Time-Dependent DFT (MRSF-TD-DFT) vs Spin-Flip TD-DFT

Description of Sudden Polarization in the Excited Electronic States with an Ensemble Density Functional Theory Method

Design and photoisomerization dynamics of a new family of synthetic 2-stroke light driven molecular rotary motors

Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation

Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process

Fast and Accurate Computation of Nonadiabatic Coupling Matrix Elements Using the Truncated Leibniz Formula and Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach

Fulgides as Light-Driven Molecular Rotary Motors: Computational Design of a Prototype Compound

How Beneficial Is the <i>Explicit</i> Account of Doubly-Excited Configurations in Linear Response Theory?

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and Diradicaloids

Mössbauer isomer shifts and effective contact densities obtained by the exact two-component (X2C) relativistic method and its local variants

Performance Analysis and Optimization of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) for Vertical Excitation Energies and Singlet-Triplet Energy Gaps

Structural or population dynamics: what is revealed by the time-resolved photoelectron spectroscopy of 1,3-cyclohexadiene? A study with an ensemble density functional theory method

The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry