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The Journal of Chemical Physics
|
November 15, 2023
Entropy is a good approximation to the electronic (static) correlation energy
Jessica A Martinez B, Xuecheng Shao, Kaili Jiang, et al.
Journal of Chemical Theory and Computation
|
December 12, 2025
Learning the One-Electron Reduced Density Matrix at SCF Convergence Thresholds
Bhaskar Rana, Nicolas Viot, Jessica A Martinez B, et al.
The Journal of Physical Chemistry Letters
|
May 26, 2022
Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent
Chandrima Chakravarty, Huseyin Aksu, Jessica A Martinez B, et al.
The Journal of Physical Chemistry. B
|
June 2, 2023
Which Physical Phenomena Determine the Ionization Potential of Liquid Water?
Jessica A Martinez B, Lukas Paetow, Johannes Tölle, et al.
Journal of Chemical Theory and Computation
|
October 15, 2025
Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems
Xin Chen, Jessica A Martinez B, Xuecheng Shao, et al.
The Journal of Chemical Physics
|
April 30, 2024
Interoperable workflows by exchanging grid-based data between quantum-chemical program packages
Kevin Focke, Matteo De Santis, Mario Wolter, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
November 15, 2023
Entropy is a good approximation to the electronic (static) correlation energy
Jessica A Martinez B, Xuecheng Shao, Kaili Jiang, et al.
Journal of Chemical Theory and Computation
|
December 12, 2025
Learning the One-Electron Reduced Density Matrix at SCF Convergence Thresholds
Bhaskar Rana, Nicolas Viot, Jessica A Martinez B, et al.
The Journal of Physical Chemistry Letters
|
May 26, 2022
Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent
Chandrima Chakravarty, Huseyin Aksu, Jessica A Martinez B, et al.
The Journal of Physical Chemistry. B
|
June 2, 2023
Which Physical Phenomena Determine the Ionization Potential of Liquid Water?
Jessica A Martinez B, Lukas Paetow, Johannes Tölle, et al.
Journal of Chemical Theory and Computation
|
October 15, 2025
Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems
Xin Chen, Jessica A Martinez B, Xuecheng Shao, et al.
The Journal of Chemical Physics
|
April 30, 2024
Interoperable workflows by exchanging grid-based data between quantum-chemical program packages
Kevin Focke, Matteo De Santis, Mario Wolter, et al.
Page
of 1