D. Fedorov

发表

Ab initio molecular dynamics on quantum computers.

S. Gray, M. Otten, Y. Alexeev, 2020, The Journal of chemical physics.

Unitary Selective Coupled-Cluster Method

S. Gray, M. Otten, Y. Alexeev, 2021, Quantum.

Nonadiabatic Quantum Molecular Dynamics in Dense Manifolds of Electronic States.

Benjamin G. Levine, D. Fedorov, 2019, The journal of physical chemistry letters.

Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers.

Sergey A. Varganov, A. Derevianko, D. Fedorov, 2014, The Journal of chemical physics.

Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations.

Dustin K. Barnes, Sergey A. Varganov, D. Fedorov, 2017, The Journal of chemical physics.

A discontinuous basis enables numerically exact solution of the Schrödinger equation around conical intersections in the adiabatic representation.

Benjamin G. Levine, D. Fedorov, 2019, The Journal of chemical physics.

Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between (3)B1 and (1)A1 States of GeH2.

Spencer R Pruitt, M. Gordon, D. Fedorov, 2016, The journal of physical chemistry. A.

VQE method: a short survey and recent developments

N. Govind, Y. Alexeev, D. Fedorov, 2021, Materials Theory.

DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene‐like SiC and BN structures

A. Fedorov, D. Fedorov, A. A. Kuzubov, 2012 .

Modeling Spin-Crossover Dynamics.

D. Fedorov, S. Mukherjee, S. Varganov, 2021, Annual review of physical chemistry.

Predicting Intersystem Crossing Rates with AIMS-DFT Molecular Dynamics.

A. Lykhin, D. Fedorov, S. Varganov, 2018, The journal of physical chemistry. A.

Fe3S4 and Fe3O4 magnetic nanocrystals: magneto-optical and Mössbauer spectroscopy study

Y. Tseng, S. Ovchinnikov, I. Edelman, 2014 .

Optical characteristics of an epitaxial Fe3Si/Si(111) iron silicide film

I. Tarasov, S. Varnakov, S. Ovchinnikov, 2014 .

PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics.

Benjamin G. Levine, B. S. Fales, Stefan Seritan, 2020, Journal of chemical theory and computation.

Mobility of vacancies under deformation and their effect on the elastic properties of graphene

A. Fedorov, A. Kuzubov, Z. Popov, 2011 .

Calculation of accurate permanent dipole moments of the lowest + 1 , 3 states of heteronuclear alkali dimers using extended basis sets

A. Derevianko, D. Fedorov, S. Varganov, 2014 .