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The Journal of Chemical Physics
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April 4, 2020
Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats
Venkat Kapil, David M Wilkins, Jinggang Lan, et al.
The Journal of Chemical Physics
|
May 4, 2026
Investigating the reorganization properties of partially charged ions at surfaces: A model study of Agδ+ adsorbed on Au(111)
Bobby Miglani, Bahram Jafari, Venkat Kapil, 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 Interfaces
Sam Shepherd, Jinggang Lan, David M Wilkins, et al.
Faraday Discussions
|
October 6, 2023
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects
Venkat Kapil, Dávid Péter Kovács, Gábor Csányi, et al.
The Journal of Chemical Physics
|
November 15, 2022
Quantum dynamics using path integral coarse-graining
Félix Musil, Iryna Zaporozhets, Frank Noé, et al.
Digital Discovery
|
September 15, 2025
Uncertainty in the era of machine learning for atomistic modeling
Federico Grasselli, Sanggyu Chong, Venkat Kapil, et al.
The Journal of Chemical Physics
|
August 28, 2024
The wetting of H2O by CO2
Samuel G H Brookes, Venkat Kapil, Christoph Schran, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 20, 2025
CO<sub>2</sub> hydration at the air-water interface: A surface-mediated "in-and-out" mechanism
Samuel G H Brookes, Venkat Kapil, Angelos Michaelides, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 22, 2024
Introduction to machine learning potentials for atomistic simulations
Fabian L Thiemann, Niamh O'Neill, Venkat Kapil, et al.
Nature Communications
|
August 24, 2024
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
Pavan Ravindra, Xavier R Advincula, Christoph Schran, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 51) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
April 4, 2020
Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats
Venkat Kapil, David M Wilkins, Jinggang Lan, et al.
The Journal of Chemical Physics
|
May 4, 2026
Investigating the reorganization properties of partially charged ions at surfaces: A model study of Agδ+ adsorbed on Au(111)
Bobby Miglani, Bahram Jafari, Venkat Kapil, 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 Interfaces
Sam Shepherd, Jinggang Lan, David M Wilkins, et al.
Faraday Discussions
|
October 6, 2023
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects
Venkat Kapil, Dávid Péter Kovács, Gábor Csányi, et al.
The Journal of Chemical Physics
|
November 15, 2022
Quantum dynamics using path integral coarse-graining
Félix Musil, Iryna Zaporozhets, Frank Noé, et al.
Digital Discovery
|
September 15, 2025
Uncertainty in the era of machine learning for atomistic modeling
Federico Grasselli, Sanggyu Chong, Venkat Kapil, et al.
The Journal of Chemical Physics
|
August 28, 2024
The wetting of H2O by CO2
Samuel G H Brookes, Venkat Kapil, Christoph Schran, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 20, 2025
CO<sub>2</sub> hydration at the air-water interface: A surface-mediated "in-and-out" mechanism
Samuel G H Brookes, Venkat Kapil, Angelos Michaelides, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 22, 2024
Introduction to machine learning potentials for atomistic simulations
Fabian L Thiemann, Niamh O'Neill, Venkat Kapil, et al.
Nature Communications
|
August 24, 2024
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
Pavan Ravindra, Xavier R Advincula, Christoph Schran, et al.
Page
of 6