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Joseph P Heindel

Showing results (11-20 of 28) with videos related to

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The Journal of Chemical Physics|December 12, 2019
Atlas of putative minima and low-lying energy networks of water clusters n = 3-25Avijit Rakshit, Pradipta Bandyopadhyay, Joseph P Heindel, et al.
The Journal of Physical Chemistry Letters|August 4, 2021
Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH<sub>4</sub>, CO<sub>2</sub>, and H<sub>2</sub>S in (H<sub>2</sub>O)<sub>20</sub> CagesJoseph P Heindel, Kristina M Herman, Edoardo Aprà, et al.
The Journal of Physical Chemistry Letters|October 20, 2022
Spontaneous Formation of Hydrogen Peroxide in Water MicrodropletsJoseph P Heindel, Hongxia Hao, R Allen LaCour, et al.
Journal of the American Chemical Society|February 17, 2025
The Role of Interfaces and Charge for Chemical Reactivity in MicrodropletsR Allen LaCour, Joseph P Heindel, Ruoqi Zhao, et al.
Journal of Chemical Theory and Computation|August 15, 2018
Benchmark Electronic Structure Calculations for H<sub>3</sub>O<sup>+</sup>(H<sub>2</sub>O) <sub>n</sub>, n = 0-5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body CorrectionJoseph P Heindel, Qi Yu, Joel M Bowman, et al.
The Journal of Physical Chemistry Letters|January 21, 2025
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion InteractionsJoseph P Heindel, Lukas Kim, Martin Head-Gordon, et al.
The Journal of Physical Chemistry Letters|June 20, 2024
Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and BeyondSelim Sami, R Allen LaCour, Joseph P Heindel, et al.
Nature Computational Science|January 4, 2024
Using machine learning to go beyond potential energy surface benchmarking for chemical reactivityXingyi Guan, Joseph P Heindel, Taehee Ko, et al.
The Journal of Chemical Physics|February 11, 2024
Descriptors of water aggregationGarrett D Santis, Kristina M Herman, Joseph P Heindel, et al.
The Journal of Chemical Physics|July 17, 2020
A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clustersJenna A Bilbrey, Joseph P Heindel, Malachi Schram, et al.
Pageof 3

Showing results (11-20 of 28) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|December 12, 2019
Atlas of putative minima and low-lying energy networks of water clusters n = 3-25Avijit Rakshit, Pradipta Bandyopadhyay, Joseph P Heindel, et al.
The Journal of Physical Chemistry Letters|August 4, 2021
Guest-Host Interactions in Clathrate Hydrates: Benchmark MP2 and CCSD(T)/CBS Binding Energies of CH<sub>4</sub>, CO<sub>2</sub>, and H<sub>2</sub>S in (H<sub>2</sub>O)<sub>20</sub> CagesJoseph P Heindel, Kristina M Herman, Edoardo Aprà, et al.
The Journal of Physical Chemistry Letters|October 20, 2022
Spontaneous Formation of Hydrogen Peroxide in Water MicrodropletsJoseph P Heindel, Hongxia Hao, R Allen LaCour, et al.
Journal of the American Chemical Society|February 17, 2025
The Role of Interfaces and Charge for Chemical Reactivity in MicrodropletsR Allen LaCour, Joseph P Heindel, Ruoqi Zhao, et al.
Journal of Chemical Theory and Computation|August 15, 2018
Benchmark Electronic Structure Calculations for H<sub>3</sub>O<sup>+</sup>(H<sub>2</sub>O) <sub>n</sub>, n = 0-5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body CorrectionJoseph P Heindel, Qi Yu, Joel M Bowman, et al.
The Journal of Physical Chemistry Letters|January 21, 2025
Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion InteractionsJoseph P Heindel, Lukas Kim, Martin Head-Gordon, et al.
The Journal of Physical Chemistry Letters|June 20, 2024
Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and BeyondSelim Sami, R Allen LaCour, Joseph P Heindel, et al.
Nature Computational Science|January 4, 2024
Using machine learning to go beyond potential energy surface benchmarking for chemical reactivityXingyi Guan, Joseph P Heindel, Taehee Ko, et al.
The Journal of Chemical Physics|February 11, 2024
Descriptors of water aggregationGarrett D Santis, Kristina M Herman, Joseph P Heindel, et al.
The Journal of Chemical Physics|July 17, 2020
A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clustersJenna A Bilbrey, Joseph P Heindel, Malachi Schram, et al.
Pageof 3