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Journal of Chemical Theory and Computation
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July 31, 2025
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory
Mahsa Nazemi-Ashani, Alberto Otero-de-la-Roza, Gino A DiLabio
The Journal of Physical Chemistry. A
|
September 15, 2023
Accurate Potential Energy Surfaces Using Atom-Centered Potentials and Minimal High-Level Data
Mahsa Nazemi Ashani, Qinan Huang, A Mackenzie Flowers, et al.
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of 1
Search research articles
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Showing results (1-10 of 2) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 31, 2025
Constructing Accurate Potential Energy Surfaces with Limited High-Level Data Using Atom-Centered Potentials and Density Functional Theory
Mahsa Nazemi-Ashani, Alberto Otero-de-la-Roza, Gino A DiLabio
The Journal of Physical Chemistry. A
|
September 15, 2023
Accurate Potential Energy Surfaces Using Atom-Centered Potentials and Minimal High-Level Data
Mahsa Nazemi Ashani, Qinan Huang, A Mackenzie Flowers, et al.
Page
of 1