Andrés Ayuela

Overview

Best Publications

• Magnetic properties and diffusion of adatoms on a graphene sheet.

  P. O. Lehtinen;Adam S. Foster;A. Ayuela;A. Krasheninnikov

  571
  Citations

• Structural properties of magnetic Heusler alloys

  A Ayuela;J Enkovaara;K Ullakko;R M Nieminen

  376
  Citations

• First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties

  Elton Jose Gomes Santos;Elton Jose Gomes Santos;Andrés Ayuela;Daniel Sánchez-Portal

  311
  Citations

• Elastic properties of the main species present in Portland cement pastes

  H. Manzano;J.S. Dolado;A. Ayuela

  304
  Citations

• Coexistence of ferromagnetic and antiferromagnetic order in Mn-doped Ni2MnGa

  J. Enkovaara;O. Heczko;A. Ayuela;Risto M. Nieminen

  289
  Citations

• Magnetism of substitutional Co impurities in graphene: Realization of single π vacancies

  Elton Jose Gomes Santos;Daniel Sánchez-Portal;Andrés Ayuela

  234
  Citations

• Ab initio study of tetragonal variants in Ni2MnGa alloy

  A Ayuela;J Enkovaara;R M Nieminen

  210
  Citations

• Belite cements and their activation

  Ana Cuesta;Andres Ayuela;Miguel A.G. Aranda

  173
  Citations

• Mechanical properties of crystalline calcium‐silicate‐hydrates: comparison with cementitious C‐S‐H gels

  H. Manzano;J. S. Dolado;A. Guerrero;A. Ayuela

  161
  Citations

• Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite

  Ana Cuesta;Angeles G. De la Torre;Enrique R. Losilla;Vanessa K. Peterson

  159
  Citations

• Adsorption and migration of carbon adatoms on carbon nanotubes: Density-functional ab initio and tight-binding studies

  A. V. Krasheninnikov;K. Nordlund;P. O. Lehtinen;Adam S. Foster

  153
  Citations

• First-principles investigation of phonon softenings and lattice instabilities in the shape-memory system Ni 2 MnGa

  A. T. Zayak;P. Entel;J. Enkovaara;A. Ayuela

  143
  Citations

• Magnetically driven shape memory alloys

  J. Enkovaara;A. Ayuela;A. Ayuela;A.T. Zayak;P. Entel

  134
  Citations

• Universal magnetic properties of sp3-type defects in covalently functionalized graphene

  Elton Jose Gomes Santos;Elton Jose Gomes Santos;Elton Jose Gomes Santos;Andrés Ayuela;Andrés Ayuela;Daniel Sánchez-Portal;Daniel Sánchez-Portal

  129
  Citations

• 29Si NMR in Cement: A Theoretical Study on Calcium Silicate Hydrates

  Pawel Rejmak;Jorge S. Dolado;Malcolm J. Stott;Andrés Ayuela;Andrés Ayuela

  124
  Citations

• Magnetic anisotropy in Ni 2 MnGa

  J. Enkovaara;A. Ayuela;L. Nordström;Risto M. Nieminen

  123
  Citations

• C62: Theoretical Evidence for a Nonclassical Fullerene with a Heptagonal Ring

  A. Ayuela;P. W. Fowler;D. Mitchell;R. Schmidt

  120
  Citations

• First-principles investigations of homogeneous lattice-distortive strain and shuffles in Ni2MnGa

  A T Zayak;P Entel;J Enkovaara;A Ayuela

  116
  Citations

• Switching on magnetism in Ni-doped graphene: Density functional calculations

  E.J.G. Santos;E.J.G. Santos;Andrés Ayuela;Andrés Ayuela;Solange B. Fagan;J. Mendes Filho

  115
  Citations

• Molecular orbital calculations on (MgO)n and (MgO)n+ clusters (n=1–13)

  J. Manuel Recio;Ravindra Pandey;Andres Ayuela;A. Barry Kunz

  103
  Citations

• Structural, Mechanical, and Reactivity Properties of Tricalcium Aluminate Using First-Principles Calculations

  Hegoi Manzano;Jorge S. Dolado;Andrés Ayuela

  97
  Citations

• Edge states and flat bands in graphene nanoribbons with arbitrary geometries

  W. Jaskólski;Andrés Ayuela;M. Pelc;Hernán Santos

  91
  Citations