A. Bautista Hernández

Hospital General Universitario de Alicante Doctor Balmis — Spain

Materials Science · Physical Sciences

18h-index978citations72works1.82yr avg
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Research Topics

Boron and Carbon Nanomaterials Research(24), Graphene research and applications(12), Metal and Thin Film Mechanics(8), Fullerene Chemistry and Applications(8), MXene and MAX Phase Materials(8)

Publications72 total

Insights from DFT calculations for Zn54O54 nano-flake as removing of pesticides and drug delivery vehicle. In silico investigation
Journal of Physics and Chemistry of Solids·2025
Reliability and validity of an artificial intelligence-assisted system for the detection of abnormalities in chest and bone radiographs in an emergency department
Emergencias·2025Open Access
In Silico Study of Interactions between the Methylene Blue Molecule and the (TiO<sub>2</sub>)<sub>20</sub> Cluster by Means of DFT Calculations
ACS Omega·2024· 7 citedOpen Access
Large geometric polarization and magnetic behavior in the multiferroic quasi-2D SrNiF4 fluoride
Computational Materials Science·2024Open Access
Prediction of new (TiO2)n n = 21–25 clusters by means of GA plus DFT calculations: A possible biological application
Materials Today Communications·2023· 2 cited
Effect of global charge on stability and electronic properties of B36N36 cage and isomers
Physica E Low-dimensional Systems and Nanostructures·2023· 4 cited
PREPARACIÓN DE TEXTILES MULTIFUNCIONALES A PARTIR DE LA INCORPORACIÓN DE NANOPARTÍCULAS INORGÁNICAS
2023Open Access
Prediction of New (TiO2)n n=21-25 Clusters by Means of GA&amp;nbsp;Plus DFT Calculations: A Possible Biological Application
SSRN Electronic Journal·2023Open Access
Effect of Global Charge on Stability and Electronic Properties of B36n36 Cage and Isomers
SSRN Electronic Journal·2023· 1 citedOpen Access
Vickers hardness prediction from machine learning methods
Scientific Reports·2022· 30 citedOpen Access
Anomalous Hall conductivity control in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi>Mn</mml:mi></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:mi>NiN</mml:mi></mml:math> antiperovskite by epitaxial strain along the kagome plane
Physical review. B./Physical review. B·2022· 19 citedOpen Access
The Hardness Calculator
Research Square (Research Square)·2022Open Access
Cu<sub><i>n</i></sub> Clusters (<i>n</i> = 13, 43, and 55) as Possible Degradant Agents of <i>m</i>SF<sub>6</sub> Molecules (<i>m</i> = 1, 2): A DFT Study
ACS Omega·2022· 4 citedOpen Access
Biosynthesis of gold nanoparticles from Agave potatorum extracts: effect of the solvent in the extraction
Materials Today Sustainability·2022· 5 cited
In-silico study of the adsorption of H2, CO and CO2 chemical species on (TiO2)n n=15–20 clusters: The (TiO2)19 case as candidate promising
Journal of Molecular Graphics and Modelling·2022· 10 cited
Modification of electronic and thermoelectric properties of InSe/GaSe superlattices by strain engineering
Physical Review Materials·2022· 18 cited
Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study
Advances in Condensed Matter Physics·2022Open Access
Physical-chemical properties of (Zn )@C60 and (Zn )@C70 endohedral metallofullerenes (m = 1-5): A DFT approach
Surfaces and Interfaces·2021· 3 cited
Exploring the elastic and electronic properties of chromium molybdenum diboride alloys
Journal of Alloys and Compounds·2021· 18 citedOpen Access
Assessing Nickel Titanium Binary Systems Using Structural Search Methods and Ab Initio Calculations
The Journal of Physical Chemistry C·2021· 6 citedOpen Access
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Frequent Co-authors

M. Salazar Villanueva(23), Ernesto Chigo Anota(23), A. Romero(10), Wilfredo Ibarra-Hernández(8), O. Vázquez‐Cuchillo(6), Diego Cortés‐Arriagada(5), Miguel Castro(5), J. H. Camacho-García(5), J. F. Sánchez‐Ramírez(5), Umapada Pal(4), Alejandra Alicia Peláez Cid(4), A.M. Herrera(3), A. Escobedo-Morales(3), A. C. Garcia‐Castro(3), Benjamín Valdez(3), Francisco Severiano Carrillo(3), Miguel Castro(2), Gregorio H. Cocoletzi(2), Viviana Dovale-Farelo(2), Pedram Tavadze(2)