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List of works by Alberto Garcia

Ag2Cu3Cr2O8(OH)4: a new bidimensional silver-copper mixed-oxyhydroxide with in-plane ferromagnetic coupling

scientific article published on 3 January 2017

Aluminum ordering and clustering in Al-rich synthetic phlogopite: -> 29Si CPMAS HETCOR spectroscopy and atomistic calculations

scholarly article by R. Langner et al published 30 January 2012 in American Mineralogist

An efficient implementation of a QM–MM method in SIESTA

article published in 2010

Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver-Copper Oxide AgCuO2 ¤

scientific article published on 02 May 2019

Common workflows for computing material properties using different quantum engines

scientific article published on 19 August 2021

Comparison of empirical bond-valence and first-principles energy calculations for a complex structural instability

scholarly article in Physical Review B, vol. 72 no. 17, November 2005

Competing structural instabilities in the ferroelectric Aurivillius compoundSrBi2Ta2O9

scholarly article in Physical Review B, vol. 70 no. 21, December 2004

Compositional uniformity, domain patterning and the mechanism underlying nano-chessboard arrays

article

Crystal structure determination of karibibite, an Fe3+ arsenite, using electron diffraction tomography

Dependence of the lone pair of bismuth on coordination environment and pressure: An ab initio study on Cu4Bi5S10 and Bi2S3

scholarly article by Lars Olsen et al published September 2010 in Journal of Solid State Chemistry

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

Electronic Structure of the A8Tr11(A = K, Rb, Cs; Tr = Ga, In, Tl) Zintl Phases: Possible Chemical Reasons Behind Their Activated versus Non Activated Conductivity

article by Manuel Cobián et al published 19 October 2009 in Inorganic Chemistry

First-principles study of the ferroelastic phase transition inCaCl2

scholarly article in Physical Review B, vol. 65 no. 13, March 2002

Improvements on non-equilibrium and transport Green function techniques: The next-generation transiesta ⬇️

Large Induced Interface Dipole Moments without Charge Transfer: Buckybowls on Metal Surfaces

Multiple instabilities inBi4Ti3O12: A ferroelectric beyond the soft-mode paradigm

scholarly article in Physical Review B, vol. 77 no. 18, May 2008

Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle

scholarly article

Optimal strictly localized basis sets for noble metal surfaces

scholarly article in Physical Review B, vol. 79 no. 7, February 2009

Revision of pyrrhotite structures within a common superspace model

article

SIESTA-PEXSI: massively parallel method for efficient and accurateab initiomaterials simulation without matrix diagonalization ⬇️

Self-organized Ce(1-x)Gd(x)O(2-y) nanowire networks with very fast coarsening driven by attractive elastic interactions

scientific article published on December 2010

Siesta: Recent developments and applications

scientific article published on 01 May 2020

Superlattice pseudouniform orderings as modulated structures: Stripe and checkerboard arrangements

article

The CECAM electronic structure library and the modular software development paradigm

scientific article published on 01 July 2020

The psml format and library for norm-conserving pseudopotential data curation and interoperability

Theoretical investigation of the binding process of corannulene on a Cu(111) surface

scientific article published on August 2010

Thermodynamic stability analysis of isometric and elongated epitaxialCe1−xGdxO2−ynanostructures on perovskite substrates

scholarly article in Physical Review B, vol. 82 no. 16, October 2010

Two distinct metallic bands associated with monatomic Au wires on the Si(557)-Au surface

scholarly article in Physical Review B, vol. 65 no. 8, February 2002

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