List of Publications

Scientific papers

1. Structure and dynamics in liquid bismuth and Bin clusters: A density functional study
   Julen Larrucea, Jaakko Akola and R. O. Jones
   J. Chem. Phys. 141, 194503 (2014)
2. Parametrization of a classical force field for iron oxyhydroxide/water interfaces based on Density Functional Theory calculations
   Julen Larrucea, Steffen Lid and Lucio Colombi Ciacchi
   Computational Materials Science, V. 92, 343 (2014)
3. Denstiy functional study of Cu²⁺– phenylalanine complex under micro-solvated environment
   A. Ganesan, J. Dreyer, F. Wang, J. Akola, J. Larrucea
   J. Mol. Grap. Mod. 45, 180–191 (2013)
4. Nucleus-driven crystallization of amorphous GST-225: Order from disorder,
   J. Kalikka, J. Akola, J. Larrucea and R. O. Jones
   Phys. Rev. B 86, 144113 (2012)
5. Ordering the amorphous – Structures in PBD LED materials,
   F. Emmerling, I. Orgzall, B. Dietzel, B. Schulz, J. Larrucea
   J. Mol. Str. 1030, 209 (2012)
6. Solvent effect on Cation-π interactions with Al⁺³,
   Julen Larrucea
   J. Mol. Mod. 18, 4349 (2012)
   10.1007/s00894-012-1433-0
7. Car-Parrinello molecular dynamics study of the coordination on Al³⁺ (aq),
   Julen Larrucea
   Phys. Scr. 84, 045305 (2011)
   doi:10.1088/0031-8949/84/04/045305
8. Polymorphism in phase-change materials: melt-quenched and as-deposited amorphous structures in Ge₂Sb₂Te₅ from density functional calculations,
   J. Akola, J. Larrucea, and R. O. Jones
   Phys. Rev. B 83, 094113 (2011)
   DOI:10.1103/PhysRevB.83.094113
9. Polymorphism in amorphous Ge₂Sb₂Te₅: comparison of melt-quenched and as-deposited structures,
   E*PCOS 2010 Proceedings, European Phase Change and Ovonics Symposium, Politecnico di Milano, pp. 126-133 (2010)
   J. Akola, J. Larrucea and R. O. Jones
10. Ab Initio Study of Microsolvated Al³⁺-Aromatic Amino Acid Complexes,
    J. Larrucea, E. Rezabal, T. Marino, N. Russo and J. M. Ugalde
    J. Phys. Chem. B, 2010, 114 (27), pp 9017-9022
    DOI: 10.1021/jp101874p
11. “Ab Initio Molecular Dynamics Study of a Mixture of HF(aq) and HCl(aq)”,
    Kari Laasonen, Julen Larrucea, and Atte Sillämpää
    J. Phys. Chem. B; 2006; 110(25) pp 12699 – 12706
    DOI: 10.1021/jp054876+

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Books

• Julen Larrucea and Jesus M. Ugalde.
  Aluminio katioiaren amino azido aromatikoen gaineko eraginaren azterketa konputazionala.
  (“Computational study of the interaction between aromatic amino acids and aluminum”)
  University of the Basque Country UPV/EHU 2009
  TESIKER, ISBN: 978-84-8438-315-4.
• First Finnish-Basque Language dictionary, together with SUOMITAR Basque-Finnish association.
  ISBN:978-84-15508-23-6

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Posters

1. “ESPA 2008 Poster”,
   6th Congress on Electronic Structure: Principles and Applications. 2008.

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Others

1. “Ab-Initio Molecular Dynamics Study of Structural Modifications at Aromatic Aminoacids Triggered by Al(III) “,
   DEA/IZO thesis, for the degree of advances studies.
   Zuzendaria: Prof. Jesus M. Ugalde. UPV/EHU 2007 [English]
2. “Car-Parrinello molecular dynamics studies of aqueous HCl and HF mixture “,
   ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 229: U803-U803
   Laasonen K, Larrucea J
   306-COMP Part 1 MAR 13 2005