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Journal of Chemical Theory and Computation
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June 1, 2018
Nonlocal Electron-Phonon Coupling in Prototypical Molecular Semiconductors from First Principles
Xiaoyu Xie, Alejandro Santana-Bonilla, Alessandro Troisi
ACS Applied Materials & Interfaces
|
November 6, 2024
Global Optimization of Molybdenum Subnanoclusters on Graphene: A Consistent Approach toward Catalytic Applications
Yao Wei, Alejandro Santana-Bonilla, Lev Kantorovich
Journal of Chemical Information and Modeling
|
February 10, 2025
PUCHIK: A Python Package To Analyze Molecular Dynamics Simulations of Aspherical Nanoparticles
Hrachya Ishkhanyan, Alejandro Santana-Bonilla, Christian D Lorenz
The Journal of Physical Chemistry Letters
|
August 5, 2021
Scalable and Predictive Spectra of Correlated Molecules with Moment Truncated Iterated Perturbation Theory
Oliver J Backhouse, Alejandro Santana-Bonilla, George H Booth
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 14, 2019
Exploring the write-in process in molecular quantum cellular automata: a combined modelingand first-principle approach
Alejandro Santana-Bonilla, Leonardo Medrano Sandonas, Rafael Gutierrez, et al.
Nanoscale
|
March 13, 2020
Molecular generation targeting desired electronic properties via deep generative models
Qi Yuan, Alejandro Santana-Bonilla, Martijn A Zwijnenburg, et al.
The Journal of Physical Chemistry Letters
|
January 2, 2016
Switchable Negative Differential Resistance Induced by Quantum Interference Effects in Porphyrin-based Molecular Junctions
Daijiro Nozaki, Lokamani, Alejandro Santana-Bonilla, et al.
Journal of Chemical Theory and Computation
|
April 11, 2019
Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals
Xiaoyu Xie, Alejandro Santana-Bonilla, Weihai Fang, et al.
Journal of Chemical Information and Modeling
|
February 10, 2025
Automated Analysis of Soft Matter Interfaces, Interactions, and Self-Assembly with PySoftK
Raquel López-Ríos de Castro, Alejandro Santana-Bonilla, Robert M Ziolek, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2014
Structural distortions in molecular-based quantum cellular automata: a minimal model based study
Alejandro Santana Bonilla, Rafael Gutierrez, Leonardo Medrano Sandonas, et al.
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of 2
Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
June 1, 2018
Nonlocal Electron-Phonon Coupling in Prototypical Molecular Semiconductors from First Principles
Xiaoyu Xie, Alejandro Santana-Bonilla, Alessandro Troisi
ACS Applied Materials & Interfaces
|
November 6, 2024
Global Optimization of Molybdenum Subnanoclusters on Graphene: A Consistent Approach toward Catalytic Applications
Yao Wei, Alejandro Santana-Bonilla, Lev Kantorovich
Journal of Chemical Information and Modeling
|
February 10, 2025
PUCHIK: A Python Package To Analyze Molecular Dynamics Simulations of Aspherical Nanoparticles
Hrachya Ishkhanyan, Alejandro Santana-Bonilla, Christian D Lorenz
The Journal of Physical Chemistry Letters
|
August 5, 2021
Scalable and Predictive Spectra of Correlated Molecules with Moment Truncated Iterated Perturbation Theory
Oliver J Backhouse, Alejandro Santana-Bonilla, George H Booth
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
June 14, 2019
Exploring the write-in process in molecular quantum cellular automata: a combined modelingand first-principle approach
Alejandro Santana-Bonilla, Leonardo Medrano Sandonas, Rafael Gutierrez, et al.
Nanoscale
|
March 13, 2020
Molecular generation targeting desired electronic properties via deep generative models
Qi Yuan, Alejandro Santana-Bonilla, Martijn A Zwijnenburg, et al.
The Journal of Physical Chemistry Letters
|
January 2, 2016
Switchable Negative Differential Resistance Induced by Quantum Interference Effects in Porphyrin-based Molecular Junctions
Daijiro Nozaki, Lokamani, Alejandro Santana-Bonilla, et al.
Journal of Chemical Theory and Computation
|
April 11, 2019
Exciton-Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals
Xiaoyu Xie, Alejandro Santana-Bonilla, Weihai Fang, et al.
Journal of Chemical Information and Modeling
|
February 10, 2025
Automated Analysis of Soft Matter Interfaces, Interactions, and Self-Assembly with PySoftK
Raquel López-Ríos de Castro, Alejandro Santana-Bonilla, Robert M Ziolek, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 18, 2014
Structural distortions in molecular-based quantum cellular automata: a minimal model based study
Alejandro Santana Bonilla, Rafael Gutierrez, Leonardo Medrano Sandonas, et al.
Page
of 2