HMI Group
Julen Larrucea
Impressum
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Vita |
Publications |
Research |
Papers
| 9. | J. Larrucea, S. Lid, L. Colombi Ciacchi
Parametrization of a classical force field for iron oxyhydroxide/water interfaces Submitted |
| 8. | A. Ganesan, J. Dreyer, F. Wang, J. Akola, J. Larrucea
Density functional study of Cu2+-phenylalanine complex under micro-solvation environment Journal of Molecular Graphics and Modelling 45, 180-191 (2013) Full text |
| 7. | J. Kalikka, J. Akola, J. Larrucea, R. O. Jones
Nucleus-driven crystallization of amorphous Ge2Sb2Te5: A density functional study Phys. Rev. B 86, 144113 (2012) Full text |
| 6. | F. Emmerling, I. Orgzall, B. Dietzel, B. Schulz, J. Larrucea
Ordering the amorphous - Structures in PBD LED materials Journal of Molecular Structure, Online First (2012) Full text |
| 5. | J. Larrucea
Solvent effect on cation-π interactions with Al3+ Journal of Molecular Modeling 18, 4349 (2012) Full text |
| 4. | J. Larrucea
Car-Parrinello molecular dynamics study of the coordination on Al3+ (aq) Physica Scripta 83, 045305 (2011) Full text |
| 3. | J. Akola, J. Larrucea, R.O. Jones
Polymorphism in phase-change materials: melt-quenched and as-deposited amorphous structures in Ge2Sb2Te5 from density functional calculations Physical Review B 83, 094113 (2011) Full text |
| 2. | J. Larrucea, E. Rezabal, T. Marino, N. Russo, J. M. Ugalde
Ab initio study of microsolvated Al3+-aromatic amino acid complexes Journal of Physical Chemistry B 114, 9017 (2010) Full text |
| 1. | K. Laasonen, J. Larrucea, A. Sillämpää
Ab initio molecular dynamics study of a mixture of HF(aq) and HCl(aq) Journal of Physical Chemistry B 110, 12699 (2006) Full text |
Proceedings and other articles
| 1. | J. Akola, J. Larrucea, R.O. Jones
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) Full text |
Talks
| 7. | J. Larrucea, J. Akola, R.O. Jones
What's wrong with the amorphous Ge2Sb2Te5 samples? BCCMS, Bremen (Germany); April 13, 2012 |
| 6. | J. Larrucea, J. Akola, R.O. Jones
Polymorphism in phase-change materials: melt-quenched and as-deposited amorphous structures in Ge2 Sb2 Te5 from density functional calculations - TRNM 2010, Levi (Finland); December 8, 2010 - Nano seminar, NSC, Jyväskylä (Finland) ; April 14, 2011 - MRS Spring meeting, San Francisco (USA); April 26, 2011 |
| 5. | J. Larrucea
Computational study of the effect of Al(III) on aromatic amino acids Nano seminar, University of Jyväskylä (Finland); February 19, 2010 |
| 4. | J. Larrucea, J. M. Ugalde
Aluminio katioairen amino azido aromatikoen gaineko eraginaren azterketa konputazionala 1st dissertation in theoretical chemistry carried out fully in Basque language Faculty of Chemistry, Donostia (Basque Country), September 25, 2009 |
| 3. | J. Larrucea
Ab-Initio Molecular Dynamics Simulations in Water Solution GFZ Potsdam (Germany), July 22, 2009 |
| 2. | J. Larrucea, Jesus M. Ugalde
CPMD study of aromatic aminoacids with Al(III) Advanced studies seminar, UPV-EHU Donostia, January 8, 2008 |
| 1. | J. Larrucea, Kari Laasonen
Behavior of HF and HCl mixture in aqueous solution Computational chemistry day, University of Oulu (Finland), October 20 2004 |