Lista de obras -

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

artículo científico publicado en 2017

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

artículo científico publicado en 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

artículo científico publicado en 2016

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

artículo científico publicado en 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.

artículo científico publicado en 2008

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.

artículo científico publicado en 2017

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

artículo científico publicado en 2019

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

artículo científico publicado en 2009

Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations ⬇️

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico publicado en 2010

Quasi-classical approaches to vibronic spectra revisited.

artículo científico publicado en 2018

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

artículo científico publicado en 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.

artículo científico

Trapped mesoscopic quantum gas in a magnetic field

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

artículo científico publicado en 2016

Lista de obras de

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 ⬇️