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David M Wilkins

Showing results (1-10 of 30) with videos related to

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Journal of Chemical Theory and Computation|November 18, 2015
Why Quantum Coherence Is Not Important in the Fenna-Matthews-Olsen ComplexDavid M Wilkins, Nikesh S Dattani
Journal of Chemical Information and Modeling|April 23, 2026
Learning Electronic Polarization in Molecular Systems: Vibrational Spectroscopy of Ethanol-Water MixturesOliver S Cunningham, David M Wilkins
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 12, 2025
Symmetry-adapted models for the hyperpolarizability of waterRyan Elwood-Clarke, David M Wilkins
The Journal of Chemical Physics|May 17, 2018
Fast-forward Langevin dynamics with momentum flipsMahdi Hijazi, David M Wilkins, Michele Ceriotti
The Journal of Chemical Physics|May 23, 2023
A fully quantum-mechanical treatment for kaoliniteSam Shepherd, Gareth A Tribello, David M Wilkins
The Journal of Chemical Physics|February 16, 2015
Nuclear quantum effects in water exchange around lithium and fluoride ionsDavid M Wilkins, David E Manolopoulos, Liem X Dang
The Journal of Physical Chemistry Letters|February 6, 2023
Competing Nuclear Quantum Effects and Hydrogen-Bond Jumps in Hydrated KaolinitePawan K J Kurapothula, Sam Shepherd, David M Wilkins
The Journal of Chemical Physics|April 4, 2020
Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostatsVenkat Kapil, David M Wilkins, Jinggang Lan, et al.
Physical Review Letters|February 6, 2018
Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic SystemsAndrea Grisafi, David M Wilkins, Gábor Csányi, et al.
The Journal of Physical Chemistry Letters|September 15, 2021
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to InterfacesSam Shepherd, Jinggang Lan, David M Wilkins, et al.
Pageof 3

Showing results (1-10 of 30) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|November 18, 2015
Why Quantum Coherence Is Not Important in the Fenna-Matthews-Olsen ComplexDavid M Wilkins, Nikesh S Dattani
Journal of Chemical Information and Modeling|April 23, 2026
Learning Electronic Polarization in Molecular Systems: Vibrational Spectroscopy of Ethanol-Water MixturesOliver S Cunningham, David M Wilkins
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 12, 2025
Symmetry-adapted models for the hyperpolarizability of waterRyan Elwood-Clarke, David M Wilkins
The Journal of Chemical Physics|May 17, 2018
Fast-forward Langevin dynamics with momentum flipsMahdi Hijazi, David M Wilkins, Michele Ceriotti
The Journal of Chemical Physics|May 23, 2023
A fully quantum-mechanical treatment for kaoliniteSam Shepherd, Gareth A Tribello, David M Wilkins
The Journal of Chemical Physics|February 16, 2015
Nuclear quantum effects in water exchange around lithium and fluoride ionsDavid M Wilkins, David E Manolopoulos, Liem X Dang
The Journal of Physical Chemistry Letters|February 6, 2023
Competing Nuclear Quantum Effects and Hydrogen-Bond Jumps in Hydrated KaolinitePawan K J Kurapothula, Sam Shepherd, David M Wilkins
The Journal of Chemical Physics|April 4, 2020
Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostatsVenkat Kapil, David M Wilkins, Jinggang Lan, et al.
Physical Review Letters|February 6, 2018
Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic SystemsAndrea Grisafi, David M Wilkins, Gábor Csányi, et al.
The Journal of Physical Chemistry Letters|September 15, 2021
Efficient Quantum Vibrational Spectroscopy of Water with High-Order Path Integrals: From Bulk to InterfacesSam Shepherd, Jinggang Lan, David M Wilkins, et al.
Pageof 3