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The Journal of Chemical Physics
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August 6, 2005
Simulations of one- and two-electron systems by Bead-Fourier path integral molecular dynamics
Sergei D Ivanov, Alexander P Lyubartsev
The Journal of Chemical Physics
|
March 3, 2019
On computing spectral densities from classical, semiclassical, and quantum simulations
Fabian Gottwald, Sergei D Ivanov, Oliver Kühn
Physical Review Letters
|
March 12, 2013
Microsolvation-induced quantum localization in protonated methane
Alexander Witt, Sergei D Ivanov, Dominik Marx
The Journal of Chemical Physics
|
May 2, 2016
Vibrational spectroscopy via the Caldeira-Leggett model with anharmonic system potentials
Fabian Gottwald, Sergei D Ivanov, Oliver Kühn
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2013
Theoretical spectroscopy using molecular dynamics: theory and application to CH5(+) and its isotopologues
Sergei D Ivanov, Alexander Witt, Dominik Marx
The Journal of Physical Chemistry Letters
|
August 13, 2015
Applicability of the Caldeira-Leggett Model to Vibrational Spectroscopy in Solution
Fabian Gottwald, Sergei D Ivanov, Oliver Kühn
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
October 26, 2005
Bead-Fourier path integral molecular dynamics
Sergei D Ivanov, Alexander P Lyubartsev, Aatto Laaksonen
The Journal of Chemical Physics
|
October 3, 2015
Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated
Sergei D Ivanov, Ian M Grant, Dominik Marx
The Journal of Chemical Physics
|
January 26, 2010
Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water
Sergei D Ivanov, Alexander Witt, Motoyuki Shiga, et al.
The Journal of Chemical Physics
|
July 3, 2015
Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations
Fabian Gottwald, Sven Karsten, Sergei D Ivanov, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
August 6, 2005
Simulations of one- and two-electron systems by Bead-Fourier path integral molecular dynamics
Sergei D Ivanov, Alexander P Lyubartsev
The Journal of Chemical Physics
|
March 3, 2019
On computing spectral densities from classical, semiclassical, and quantum simulations
Fabian Gottwald, Sergei D Ivanov, Oliver Kühn
Physical Review Letters
|
March 12, 2013
Microsolvation-induced quantum localization in protonated methane
Alexander Witt, Sergei D Ivanov, Dominik Marx
The Journal of Chemical Physics
|
May 2, 2016
Vibrational spectroscopy via the Caldeira-Leggett model with anharmonic system potentials
Fabian Gottwald, Sergei D Ivanov, Oliver Kühn
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2013
Theoretical spectroscopy using molecular dynamics: theory and application to CH5(+) and its isotopologues
Sergei D Ivanov, Alexander Witt, Dominik Marx
The Journal of Physical Chemistry Letters
|
August 13, 2015
Applicability of the Caldeira-Leggett Model to Vibrational Spectroscopy in Solution
Fabian Gottwald, Sergei D Ivanov, Oliver Kühn
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
October 26, 2005
Bead-Fourier path integral molecular dynamics
Sergei D Ivanov, Alexander P Lyubartsev, Aatto Laaksonen
The Journal of Chemical Physics
|
October 3, 2015
Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated
Sergei D Ivanov, Ian M Grant, Dominik Marx
The Journal of Chemical Physics
|
January 26, 2010
Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water
Sergei D Ivanov, Alexander Witt, Motoyuki Shiga, et al.
The Journal of Chemical Physics
|
July 3, 2015
Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations
Fabian Gottwald, Sven Karsten, Sergei D Ivanov, et al.
Page
of 2