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Juan I Rodríguez

Showing results (1-10 of 22) with videos related to

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Journal of Computational Chemistry|November 24, 2012
An efficient method for computing the QTAIM topology of a scalar field: the electron density caseJuan I Rodríguez
The Journal of Physical Chemistry. A|September 30, 2024
Physics-Inspired Evolutionary Machine Learning Method: From the Schrödinger Equation to an Orbital-Free-DFT Kinetic Energy FunctionalJuan I Rodríguez, Ulises A Vergara-Beltrán
The Journal of Chemical Physics|December 21, 2023
An efficient zero-order evolutionary method for solving the orbital-free density functional theory problem by direct minimizationUlises A Vergara-Beltran, Juan I Rodríguez
The Journal of Chemical Physics|June 17, 2008
Numerical integration of exchange-correlation energies and potentials using transformed sparse gridsJuan I Rodríguez, David C Thompson, Paul W Ayers, et al.
The Journal of Chemical Physics|July 27, 2011
Size evolution study of "molecular" and "atom-in-cluster" polarizabilities of medium-size gold clustersJuan I Rodríguez, Jochen Autschbach, F L Castillo-Alvarado, et al.
The Journal of Chemical Physics|July 17, 2009
Virial theorem in the Kohn-Sham density-functional theory formalism: accurate calculation of the atomic quantum theory of atoms in molecules energiesJuan I Rodríguez, Paul W Ayers, Andreas W Götz, et al.
Journal of Computational Chemistry|November 19, 2016
Relativistic (SR-ZORA) quantum theory of atoms in molecules propertiesJames S M Anderson, Juan I Rodríguez, Paul W Ayers, et al.
Physical Review. E|September 27, 2018
Ecological efficiency of finite-time thermodynamics: A molecular dynamics studyDavid A Rojas-Gamboa, Juan I Rodríguez, Julian Gonzalez-Ayala, et al.
Journal of Molecular Modeling|March 3, 2026
Titanium butoxide sol-gel structures are stabilized through water and alcohol via weak interactions: a DFT-QTAIM studyMónica A Vidales-Hurtado, Chérif F Matta, Mario A Sánchez-Rosas, et al.
Journal of Molecular Modeling|April 7, 2026
Publisher Correction: Titanium butoxide sol-gel structures are stabilized through water and alcohol via weak interactions: a DFT‑QTAIM studyMónica A Vidales-Hurtado, Chérif F Matta, Mario A Sanchez-Rosas, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Journal of Computational Chemistry|November 24, 2012
An efficient method for computing the QTAIM topology of a scalar field: the electron density caseJuan I Rodríguez
The Journal of Physical Chemistry. A|September 30, 2024
Physics-Inspired Evolutionary Machine Learning Method: From the Schrödinger Equation to an Orbital-Free-DFT Kinetic Energy FunctionalJuan I Rodríguez, Ulises A Vergara-Beltrán
The Journal of Chemical Physics|December 21, 2023
An efficient zero-order evolutionary method for solving the orbital-free density functional theory problem by direct minimizationUlises A Vergara-Beltran, Juan I Rodríguez
The Journal of Chemical Physics|June 17, 2008
Numerical integration of exchange-correlation energies and potentials using transformed sparse gridsJuan I Rodríguez, David C Thompson, Paul W Ayers, et al.
The Journal of Chemical Physics|July 27, 2011
Size evolution study of "molecular" and "atom-in-cluster" polarizabilities of medium-size gold clustersJuan I Rodríguez, Jochen Autschbach, F L Castillo-Alvarado, et al.
The Journal of Chemical Physics|July 17, 2009
Virial theorem in the Kohn-Sham density-functional theory formalism: accurate calculation of the atomic quantum theory of atoms in molecules energiesJuan I Rodríguez, Paul W Ayers, Andreas W Götz, et al.
Journal of Computational Chemistry|November 19, 2016
Relativistic (SR-ZORA) quantum theory of atoms in molecules propertiesJames S M Anderson, Juan I Rodríguez, Paul W Ayers, et al.
Physical Review. E|September 27, 2018
Ecological efficiency of finite-time thermodynamics: A molecular dynamics studyDavid A Rojas-Gamboa, Juan I Rodríguez, Julian Gonzalez-Ayala, et al.
Journal of Molecular Modeling|March 3, 2026
Titanium butoxide sol-gel structures are stabilized through water and alcohol via weak interactions: a DFT-QTAIM studyMónica A Vidales-Hurtado, Chérif F Matta, Mario A Sánchez-Rosas, et al.
Journal of Molecular Modeling|April 7, 2026
Publisher Correction: Titanium butoxide sol-gel structures are stabilized through water and alcohol via weak interactions: a DFT‑QTAIM studyMónica A Vidales-Hurtado, Chérif F Matta, Mario A Sanchez-Rosas, et al.
Pageof 3