Pablo Ordejón

Institut Català de Nanociència i Nanotecnologia — Spain

Materials Science · Physical Sciences

67h-index36.5kcitations302works5.32yr avg
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Research Topics

Graphene research and applications(54), Molecular Junctions and Nanostructures(49), Advanced Chemical Physics Studies(42), Semiconductor materials and devices(35), 2D Materials and Applications(29)

Publications302 total

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling
Advanced Materials·2025· 2 citedOpen Access
<scp>MaX</scp> - Materials design at the exascale - a EuroHPC Centre of Excellence: Recent selected results
2025
Graph2Mat: universal graph to matrix conversion for electron density prediction
Machine Learning Science and Technology·2025· 3 citedOpen Access
Graph2Mat: Universal graph to matrix conversion for electron density prediction
2025Open Access
Artificial intelligence for advanced functional materials: exploring current and future directions
Journal of Physics Materials·2025· 8 citedOpen Access
Quantum Transport with Spin Orbit Coupling: New Developments in TranSIESTA
arXiv (Cornell University)·2025Open Access
Quantum Transport with Spin Orbit Coupling: New Developments in Transiesta
SSRN Electronic Journal·2025· 1 citedOpen Access
MaX - Materials design at the exascale - a EuroHPC Centre of Excellence: Recent selected results
JuSER Publikationsportal·2025Open Access
Artificial Intelligence-Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling
arXiv (Cornell University)·2024· 1 citedOpen Access
Density functional Bogoliubov-de Gennes theory for superconductors implemented in the SIESTA code
Physical review. B./Physical review. B·2024· 6 citedOpen Access
Charge density waves and electron-hole instabilities of the hidden-nesting materials <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="normal">P</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">W</mml:mi><mml:mn>12</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>44</mml:mn></mml:msub></mml:mrow><mml:mo>,</mml:mo><mml:mo> </mml:mo><mml:mi>γ</mml:mi></mml:math>- and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>η</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mi>Mo</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>11</mml:mn></mml:msub></mml:mrow></mml:math>
Physical review. B./Physical review. B·2024· 1 citedOpen Access
Molecular modeling applied to corrosion inhibition: a critical review
npj Materials Degradation·2024· 41 citedOpen Access
GRAPH2MAT: UNIVERSAL GRAPH TO MATRIX CONVERSION FOR ELECTRON DENSITY PREDICTION
2024Open Access
Density functional Bogoliubov-de Gennes theory for superconductors implemented in the SIESTA code
arXiv (Cornell University)·2024Open Access
Microscopic understanding of the in-plane thermal transport properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>2</mml:mn><mml:mi>H</mml:mi></mml:mrow></mml:math> transition metal dichalcogenides
Physical review. B./Physical review. B·2024· 16 citedOpen Access
Inhibitory behaviour and adsorption stability of benzothiazole derivatives as corrosion inhibitors towards galvanised steel
Molecular Systems Design & Engineering·2023· 15 citedOpen Access
Independent and coherent transitions between antiferromagnetic states of few-molecule systems
Physical review. B./Physical review. B·2023· 3 cited
CCDC 1855019: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
CCDC 1855020: Experimental Crystal Structure Determination
The Cambridge Structural Database·2023Open Access
Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals
Royal Society Open Science·2023· 2 citedOpen Access
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Frequent Co-authors

José M. Soler(13), Emilio Artacho(13), Daniel Sánchez‐Portal(13), Javier Junquera(6), Stephanie Reich(6), C. Thomsen(6), Richard M. Martin(5), D. A. Drabold(5), Alberto Garcı́a(4), Mads Brandbyge(4), Jeremy Taylor(4), Kurt Stokbro(4), Stephan Roche(4), José-Luís Mozos(3), Janina Maultzsch(3), Miguel Pruneda(3), Karo Michaelian(3), Marcela R. Beltrán(3), Nicolas Leconte(3), Jean‐Christophe Charlier(3)