List of works - Sergei D Ivanov

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

scientific article published in June 2017

Applicability of the Caldeira-Leggett Model to Vibrational Spectroscopy in Solution ⬇️

scientific article published on 29 June 2015

Bead-Fourier path integral Monte Carlo method applied to systems of identical particles

Biphasic aggregation of a perylene bisimide dye identified by exciton-vibrational spectra

scientific article published in September 2016

Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water

scientific article published on 01 January 2010

Expanded ensemble Monte Carlo calculations of free energy for closed, stretched and confined lattice polymers

Infrared Spectroscopy of Fluxional Molecules from (ab Initio) Molecular Dynamics: Resolving Large-Amplitude Motion, Multiple Conformations, and Permutational Symmetries

scientific article published on 19 December 2011

Microsolvation of protonated methane: structures and energetics of CH5(+)(H2)n.

scientific article

Note: Caldeira-Leggett model describes dynamics of hydrogen atoms on graphene

scientific article published on 01 September 2016

Nuclear Dynamical Correlation Effects in X-ray Spectroscopy from a Theoretical Time-Domain Perspective.

scientific article

On computing spectral densities from classical, semiclassical, and quantum simulations

scientific article published on 01 February 2019

On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy

scientific article published on 01 May 2009

Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations ⬇️

scientific article

Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated.

scientific article published in September 2015

Quantum-induced symmetry breaking explains infrared spectra of CH(5)(+) isotopologues

scientific article

Quasi-classical approaches to vibronic spectra revisited.

scientific article published in March 2018

Simulating vibronic spectra via Matsubara-like dynamics: Coping with the sign problem

scientific article published on 01 November 2018

Simulations of one- and two-electron systems by Bead-Fourier path integral molecular dynamics

scientific article published on 01 July 2005

Theoretical spectroscopy using molecular dynamics: theory and application to CH5(+) and its isotopologues.

scientific article published on 13 May 2013

Trapped mesoscopic quantum gas in a magnetic field

Vibrational spectroscopy via the Caldeira-Leggett model with anharmonic system potentials ⬇️

scientific article published on 01 April 2016

List of works by Sergei D Ivanov

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

Applicability of the Caldeira-Leggett Model to Vibrational Spectroscopy in Solution ⬇️

Bead-Fourier path integral Monte Carlo method applied to systems of identical particles

Biphasic aggregation of a perylene bisimide dye identified by exciton-vibrational spectra

Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water

Expanded ensemble Monte Carlo calculations of free energy for closed, stretched and confined lattice polymers

Infrared Spectroscopy of Fluxional Molecules from (ab Initio) Molecular Dynamics: Resolving Large-Amplitude Motion, Multiple Conformations, and Permutational Symmetries

Microsolvation of protonated methane: structures and energetics of CH5(+)(H2)n.

Note: Caldeira-Leggett model describes dynamics of hydrogen atoms on graphene

Nuclear Dynamical Correlation Effects in X-ray Spectroscopy from a Theoretical Time-Domain Perspective.

On computing spectral densities from classical, semiclassical, and quantum simulations

On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy

Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations ⬇️

Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated.

Quantum-induced symmetry breaking explains infrared spectra of CH(5)(+) isotopologues

Quasi-classical approaches to vibronic spectra revisited.

Simulating vibronic spectra via Matsubara-like dynamics: Coping with the sign problem

Simulations of one- and two-electron systems by Bead-Fourier path integral molecular dynamics

Theoretical spectroscopy using molecular dynamics: theory and application to CH5(+) and its isotopologues.

Trapped mesoscopic quantum gas in a magnetic field

Vibrational spectroscopy via the Caldeira-Leggett model with anharmonic system potentials ⬇️