Publications

2026

Accuracy-Cost Trade-offs for Reference VQE Calculations of H2 on IBM Quantum Hardware

Julen Larrucea, Marita Oliv, Jeanette Lorenz

arXiv:2604.11478

2013

Density functional study of Cu2+-phenylalanine complex under micro-solvation environment

Aravindhan Ganesan, Jens Dreyer, Feng Wang, Jaakko Akola, Julen Larrucea

Journal of Molecular Graphics and Modelling 45, 180-191

2012

Nucleus-driven crystallization of amorphous Ge2Sb2Te5: A density functional study

J. Kalikka, J. Akola, J. Larrucea, R. O. Jones

Physical Review B 86, 144113

2012

Ordering the amorphous structures in PBD LED materials

Franziska Emmerling, Ingo Orgzall, Birgit Dietzel, Burkhard Schulz, Julen Larrucea

Journal of Molecular Structure 1030, 209-215

2012

Solvent effect on cation-pi interactions with Al3+

Julen Larrucea

Journal of Molecular Modeling 18, 4349-4354

2011

Car-Parrinello molecular dynamics study of the coordination on Al3+(aq)

Julen Larrucea

Physica Scripta 84, 045305

2011

Polymorphism in phase-change materials: melt-quenched and as-deposited amorphous structures in Ge2Sb2Te5 from density functional calculations

J. Akola, J. Larrucea, R. O. Jones

Physical Review B 83, 094113

2010

Ab Initio Study of Microsolvated Al3+-Aromatic Amino Acid Complexes

J. Larrucea, E. Rezabal, T. Marino, N. Russo, J. M. Ugalde

The Journal of Physical Chemistry B 114, 9017-9022

2006

Ab Initio Molecular Dynamics Study of a Mixture of HF(aq) and HCl(aq)

Kari Laasonen, Julen Larrucea, Atte Sillapää

The Journal of Physical Chemistry B 110, 12699-12706