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The Journal of Chemical Physics
|
July 10, 2017
Formaldehyde roaming dynamics: Comparison of quasi-classical trajectory calculations and experiments
Paul L Houston, Xiaohong Wang, Aryya Ghosh, et al.
The Journal of Physical Chemistry. A
|
October 31, 2019
H atom Product Channels in the Ultraviolet Photodissociation of the 2-Propenyl Radical
Ge Sun, Michael Lucas, Yu Song, et al.
The Journal of Physical Chemistry. A
|
January 7, 2026
New Permutationally Invariant Polynomial Potential Energy Surfaces for H<sub>5</sub>O<sub>2</sub><sup>+</sup> with Fast Analytical Gradients Calculated Using Reverse Differentiation
Saikiran Kotaru, Chen Qu, Paul L Houston, et al.
The Journal of Chemical Physics
|
August 16, 2023
Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations
Chen Qu, Paul L Houston, Qi Yu, et al.
The Journal of Physical Chemistry. A
|
January 5, 2024
A New <i>A Priori</i> Method to Avoid Calculation of Negligible Hamiltonian Matrix Elements in CI Calculation
Paul L Houston, Chen Qu, Qi Yu, et al.
Applied and Environmental Microbiology
|
October 6, 2009
Functional tomographic fluorescence imaging of pH microenvironments in microbial biofilms by use of silica nanoparticle sensors
Gabriela Hidalgo, Andrew Burns, Erik Herz, et al.
The Journal of Chemical Physics
|
February 1, 2023
PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials
Paul L Houston, Chen Qu, Qi Yu, et al.
The Journal of Physical Chemistry. A
|
April 16, 2024
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H<sub>3</sub>O<sub>2</sub><sup></sup>
Priyanka Pandey, Mrinal Arandhara, Paul L Houston, et al.
Science (New York, N.Y.)
|
August 9, 2020
Rotational resonances in the H<sub>2</sub>CO roaming reaction are revealed by detailed correlations
Mitchell S Quinn, Klaas Nauta, Meredith J T Jordan, et al.
Journal of Chemical Theory and Computation
|
October 3, 2024
Δ-Machine Learning to Elevate DFT-Based Potentials and a Force Field to the CCSD(<i>T</i>) Level Illustrated for Ethanol
Apurba Nandi, Priyanka Pandey, Paul L Houston, et al.
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of 7
Search research articles
Search
Showing results (51-60 of 69) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
July 10, 2017
Formaldehyde roaming dynamics: Comparison of quasi-classical trajectory calculations and experiments
Paul L Houston, Xiaohong Wang, Aryya Ghosh, et al.
The Journal of Physical Chemistry. A
|
October 31, 2019
H atom Product Channels in the Ultraviolet Photodissociation of the 2-Propenyl Radical
Ge Sun, Michael Lucas, Yu Song, et al.
The Journal of Physical Chemistry. A
|
January 7, 2026
New Permutationally Invariant Polynomial Potential Energy Surfaces for H<sub>5</sub>O<sub>2</sub><sup>+</sup> with Fast Analytical Gradients Calculated Using Reverse Differentiation
Saikiran Kotaru, Chen Qu, Paul L Houston, et al.
The Journal of Chemical Physics
|
August 16, 2023
Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculations
Chen Qu, Paul L Houston, Qi Yu, et al.
The Journal of Physical Chemistry. A
|
January 5, 2024
A New <i>A Priori</i> Method to Avoid Calculation of Negligible Hamiltonian Matrix Elements in CI Calculation
Paul L Houston, Chen Qu, Qi Yu, et al.
Applied and Environmental Microbiology
|
October 6, 2009
Functional tomographic fluorescence imaging of pH microenvironments in microbial biofilms by use of silica nanoparticle sensors
Gabriela Hidalgo, Andrew Burns, Erik Herz, et al.
The Journal of Chemical Physics
|
February 1, 2023
PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials
Paul L Houston, Chen Qu, Qi Yu, et al.
The Journal of Physical Chemistry. A
|
April 16, 2024
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H<sub>3</sub>O<sub>2</sub><sup></sup>
Priyanka Pandey, Mrinal Arandhara, Paul L Houston, et al.
Science (New York, N.Y.)
|
August 9, 2020
Rotational resonances in the H<sub>2</sub>CO roaming reaction are revealed by detailed correlations
Mitchell S Quinn, Klaas Nauta, Meredith J T Jordan, et al.
Journal of Chemical Theory and Computation
|
October 3, 2024
Δ-Machine Learning to Elevate DFT-Based Potentials and a Force Field to the CCSD(<i>T</i>) Level Illustrated for Ethanol
Apurba Nandi, Priyanka Pandey, Paul L Houston, et al.
Page
of 7