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The Journal of Chemical Physics
|
July 5, 2013
Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics
Aaron Kelly, Thomas E Markland
The Journal of Physical Chemistry Letters
|
March 16, 2017
Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects
Ondrej Marsalek, Thomas E Markland
The Journal of Chemical Physics
|
January 10, 2013
Efficient methods and practical guidelines for simulating isotope effects
Michele Ceriotti, Thomas E Markland
The Journal of Chemical Physics
|
February 8, 2016
Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory
Ondrej Marsalek, Thomas E Markland
The Journal of Chemical Physics
|
September 8, 2022
2D spectroscopies from condensed phase dynamics: Accessing third-order response properties from equilibrium multi-time correlation functions
Kenneth A Jung, Thomas E Markland
The Journal of Chemical Physics
|
March 8, 2023
A derivation of the conditions under which bosonic operators exactly capture fermionic structure and dynamics
Andrés Montoya-Castillo, Thomas E Markland
Scientific Reports
|
August 30, 2018
On the exact continuous mapping of fermions
Andrés Montoya-Castillo, Thomas E Markland
Proceedings of the National Academy of Sciences of the United States of America
|
May 9, 2012
Unraveling quantum mechanical effects in water using isotopic fractionation
Thomas E Markland, B J Berne
The Journal of Chemical Physics
|
July 16, 2008
An efficient ring polymer contraction scheme for imaginary time path integral simulations
Thomas E Markland, David E Manolopoulos
The Journal of Chemical Physics
|
March 10, 2015
Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations
Aaron Kelly, Nora Brackbill, Thomas E Markland
Page
of 8
Search research articles
Search
Showing results (1-10 of 77) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
July 5, 2013
Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics
Aaron Kelly, Thomas E Markland
The Journal of Physical Chemistry Letters
|
March 16, 2017
Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects
Ondrej Marsalek, Thomas E Markland
The Journal of Chemical Physics
|
January 10, 2013
Efficient methods and practical guidelines for simulating isotope effects
Michele Ceriotti, Thomas E Markland
The Journal of Chemical Physics
|
February 8, 2016
Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory
Ondrej Marsalek, Thomas E Markland
The Journal of Chemical Physics
|
September 8, 2022
2D spectroscopies from condensed phase dynamics: Accessing third-order response properties from equilibrium multi-time correlation functions
Kenneth A Jung, Thomas E Markland
The Journal of Chemical Physics
|
March 8, 2023
A derivation of the conditions under which bosonic operators exactly capture fermionic structure and dynamics
Andrés Montoya-Castillo, Thomas E Markland
Scientific Reports
|
August 30, 2018
On the exact continuous mapping of fermions
Andrés Montoya-Castillo, Thomas E Markland
Proceedings of the National Academy of Sciences of the United States of America
|
May 9, 2012
Unraveling quantum mechanical effects in water using isotopic fractionation
Thomas E Markland, B J Berne
The Journal of Chemical Physics
|
July 16, 2008
An efficient ring polymer contraction scheme for imaginary time path integral simulations
Thomas E Markland, David E Manolopoulos
The Journal of Chemical Physics
|
March 10, 2015
Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations
Aaron Kelly, Nora Brackbill, Thomas E Markland
Page
of 8