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Timothy J H Hele

Showing results (11-20 of 32) with videos related to

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The Journal of Chemical Physics|April 8, 2026
The Spin-MInt algorithm: An accurate and symplectic propagator for the spin-mapping representation of nonadiabatic dynamicsLauren E Cook, James R Rampton, Timothy J H Hele
The Journal of Chemical Physics|May 14, 2022
Inverse molecular design from first principles: Tailoring organic chromophore spectra for optoelectronic applicationsJames D Green, Eric G Fuemmeler, Timothy J H Hele
The Journal of Chemical Physics|December 24, 2017
A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transferSadrach Pierre, Jessica R Duke, Timothy J H Hele, et al.
The Journal of Chemical Physics|May 24, 2015
Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamicsTimothy J H Hele, Michael J Willatt, Andrea Muolo, et al.
The Journal of Chemical Physics|April 10, 2015
Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics"Timothy J H Hele, Michael J Willatt, Andrea Muolo, et al.
The Journal of Chemical Physics|March 17, 2018
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representationMatthew S Church, Timothy J H Hele, Gregory S Ezra, et al.
Journal of Chemical Theory and Computation|September 13, 2023
Which Algorithm Best Propagates the Meyer-Miller-Stock-Thoss Mapping Hamiltonian for Non-Adiabatic Dynamics?Lauren E Cook, Johan E Runeson, Jeremy O Richardson, et al.
Physical Chemistry Chemical Physics : PCCP|November 17, 2016
Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydratesJoseph R Cendagorta, Anna Powers, Timothy J H Hele, et al.
Chemical Science|September 3, 2025
Learning radical excited states from sparse dataJingkun Shen, Lucy E Walker, Kevin Ma, et al.
The Journal of Physical Chemistry. A|February 26, 2019
Anticipating Acene-Based Chromophore Spectra with Molecular Orbital ArgumentsTimothy J H Hele, Eric G Fuemmeler, Samuel N Sanders, et al.
Pageof 4

Showing results (11-20 of 32) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|April 8, 2026
The Spin-MInt algorithm: An accurate and symplectic propagator for the spin-mapping representation of nonadiabatic dynamicsLauren E Cook, James R Rampton, Timothy J H Hele
The Journal of Chemical Physics|May 14, 2022
Inverse molecular design from first principles: Tailoring organic chromophore spectra for optoelectronic applicationsJames D Green, Eric G Fuemmeler, Timothy J H Hele
The Journal of Chemical Physics|December 24, 2017
A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transferSadrach Pierre, Jessica R Duke, Timothy J H Hele, et al.
The Journal of Chemical Physics|May 24, 2015
Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamicsTimothy J H Hele, Michael J Willatt, Andrea Muolo, et al.
The Journal of Chemical Physics|April 10, 2015
Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics"Timothy J H Hele, Michael J Willatt, Andrea Muolo, et al.
The Journal of Chemical Physics|March 17, 2018
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representationMatthew S Church, Timothy J H Hele, Gregory S Ezra, et al.
Journal of Chemical Theory and Computation|September 13, 2023
Which Algorithm Best Propagates the Meyer-Miller-Stock-Thoss Mapping Hamiltonian for Non-Adiabatic Dynamics?Lauren E Cook, Johan E Runeson, Jeremy O Richardson, et al.
Physical Chemistry Chemical Physics : PCCP|November 17, 2016
Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydratesJoseph R Cendagorta, Anna Powers, Timothy J H Hele, et al.
Chemical Science|September 3, 2025
Learning radical excited states from sparse dataJingkun Shen, Lucy E Walker, Kevin Ma, et al.
The Journal of Physical Chemistry. A|February 26, 2019
Anticipating Acene-Based Chromophore Spectra with Molecular Orbital ArgumentsTimothy J H Hele, Eric G Fuemmeler, Samuel N Sanders, et al.
Pageof 4