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The Journal of Chemical Physics
|
March 2, 2022
Hydrogen-bonding and nuclear quantum effects in clays
Pawan K J Kurapothula, Sam Shepherd, David M Wilkins
The Journal of Physical Chemistry Letters
|
September 6, 2023
Fully First-Principles Surface Spectroscopy with Machine Learning
Yair Litman, Jinggang Lan, Yuki Nagata, et al.
Journal of Chemical Information and Modeling
|
May 28, 2024
Learning Electronic Polarizations in Aqueous Systems
Arnab Jana, Sam Shepherd, Yair Litman, et al.
The Journal of Physical Chemistry. B
|
August 19, 2025
Solvent Redistribution Method To Determine Solubility and Aggregation: High Throughput, Accuracy, and Sustainability
O B Tarun, N Dupertuis, David M Wilkins, et al.
The Journal of Physical Chemistry Letters
|
March 22, 2023
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra
Kazuki Inoue, Yair Litman, David M Wilkins, et al.
The Journal of Physical Chemistry Letters
|
October 12, 2016
Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids
Gabriele Tocci, Chungwen Liang, David M Wilkins, et al.
ACS Nano
|
December 12, 2017
The Molecular Mechanism of Nanodroplet Stability
Evangelia Zdrali, Yixing Chen, Halil I Okur, et al.
The Journal of Chemical Physics
|
July 17, 2020
Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
Max Veit, David M Wilkins, Yang Yang, et al.
ACS Central Science
|
January 30, 2019
Transferable Machine-Learning Model of the Electron Density
Andrea Grisafi, Alberto Fabrizio, Benjamin Meyer, et al.
The Journal of Physical Chemistry Letters
|
May 23, 2017
Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics
David M Wilkins, David E Manolopoulos, Silvio Pipolo, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
March 2, 2022
Hydrogen-bonding and nuclear quantum effects in clays
Pawan K J Kurapothula, Sam Shepherd, David M Wilkins
The Journal of Physical Chemistry Letters
|
September 6, 2023
Fully First-Principles Surface Spectroscopy with Machine Learning
Yair Litman, Jinggang Lan, Yuki Nagata, et al.
Journal of Chemical Information and Modeling
|
May 28, 2024
Learning Electronic Polarizations in Aqueous Systems
Arnab Jana, Sam Shepherd, Yair Litman, et al.
The Journal of Physical Chemistry. B
|
August 19, 2025
Solvent Redistribution Method To Determine Solubility and Aggregation: High Throughput, Accuracy, and Sustainability
O B Tarun, N Dupertuis, David M Wilkins, et al.
The Journal of Physical Chemistry Letters
|
March 22, 2023
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra
Kazuki Inoue, Yair Litman, David M Wilkins, et al.
The Journal of Physical Chemistry Letters
|
October 12, 2016
Second-Harmonic Scattering as a Probe of Structural Correlations in Liquids
Gabriele Tocci, Chungwen Liang, David M Wilkins, et al.
ACS Nano
|
December 12, 2017
The Molecular Mechanism of Nanodroplet Stability
Evangelia Zdrali, Yixing Chen, Halil I Okur, et al.
The Journal of Chemical Physics
|
July 17, 2020
Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
Max Veit, David M Wilkins, Yang Yang, et al.
ACS Central Science
|
January 30, 2019
Transferable Machine-Learning Model of the Electron Density
Andrea Grisafi, Alberto Fabrizio, Benjamin Meyer, et al.
The Journal of Physical Chemistry Letters
|
May 23, 2017
Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics
David M Wilkins, David E Manolopoulos, Silvio Pipolo, et al.
Page
of 3