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Lizandra Barrios Herrera

Showing results (1-10 of 6) with videos related to

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Journal of Molecular Modeling|June 2, 2022
A new active learning approach for adsorbate-substrate structural elucidation in silicoMaicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
Journal of Chemical Theory and Computation|August 15, 2023
QMLMaterial─A Quantum Machine Learning Software for Material Design and DiscoveryMaicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
Journal of Computational Chemistry|March 29, 2024
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce<sub>4-x</sub>Ni<sub>x</sub>O<sub>8-</sub> <sub>x</sub> (x = 1, 2, 3)Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jiří Hostaš, et al.
Physical Chemistry Chemical Physics : PCCP|October 12, 2022
Automatic structural elucidation of vacancies in materials by active learningMaicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
Journal of Computational Chemistry|November 29, 2022
GAMaterial-A genetic-algorithm software for material design and discoveryMaicon Pierre Lourenço, Jiří Hostaš, Lizandra Barrios Herrera, et al.
The Journal of Chemical Physics|November 10, 2023
How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2Jiří Hostaš, Kevin O Pérez-Becerra, Patrizia Calaminici, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Journal of Molecular Modeling|June 2, 2022
A new active learning approach for adsorbate-substrate structural elucidation in silicoMaicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
Journal of Chemical Theory and Computation|August 15, 2023
QMLMaterial─A Quantum Machine Learning Software for Material Design and DiscoveryMaicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
Journal of Computational Chemistry|March 29, 2024
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce<sub>4-x</sub>Ni<sub>x</sub>O<sub>8-</sub> <sub>x</sub> (x = 1, 2, 3)Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jiří Hostaš, et al.
Physical Chemistry Chemical Physics : PCCP|October 12, 2022
Automatic structural elucidation of vacancies in materials by active learningMaicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš, et al.
Journal of Computational Chemistry|November 29, 2022
GAMaterial-A genetic-algorithm software for material design and discoveryMaicon Pierre Lourenço, Jiří Hostaš, Lizandra Barrios Herrera, et al.
The Journal of Chemical Physics|November 10, 2023
How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2Jiří Hostaš, Kevin O Pérez-Becerra, Patrizia Calaminici, et al.
Pageof 1