| Nucleus-driven crystallization of amorphous GeSbTe: A density functional study J Kalikka, J Akola, J Larrucea, RO Jones Physical Review B 86 (14), 144113, 2012 | 93 | 2012 |
| Polymorphism in phase-change materials: melt-quenched and as-deposited amorphous structures in GeSbTe from density functional calculations J Akola, J Larrucea, RO Jones Physical Review B 83 (9), 094113, 2011 | 92 | 2011 |
| Structure and dynamics in liquid bismuth and Bin clusters: A density functional study J Akola, N Atodiresei, J Kalikka, J Larrucea, RO Jones The Journal of Chemical Physics 141 (19), 2014 | 26 | 2014 |
| Parametrization of a classical force field for iron oxyhydroxide/water interfaces based on Density Functional Theory calculations J Larrucea, S Lid, LC Ciacchi Computational materials science 92, 343-352, 2014 | 17 | 2014 |
| Ab Initio Study of Microsolvated Al3+−Aromatic Amino Acid Complexes J Larrucea, E Rezabal, T Marino, N Russo, JM Ugalde The Journal of Physical Chemistry B 114 (27), 9017-9022, 2010 | 17 | 2010 |
| Density functional study of Cu2+-phenylalanine complex under micro-solvation environment A Ganesan, J Dreyer, F Wang, J Akola, J Larrucea Journal of Molecular Graphics and Modelling 45, 180-191, 2013 | 16 | 2013 |
| Ab initio molecular dynamics study of a mixture of HF (aq) and HCl (aq) K Laasonen, J Larrucea, A Sillapää The Journal of Physical Chemistry B 110 (25), 12699-12706, 2006 | 12 | 2006 |
| This is an electronic reprint of the original article. This reprint may differ from the original in pagination and typographic detail. M Ruggenthaler, M Penz, R van Leeuwen J. Phys.: Condens. Matter 27, 203202, 2015 | 9* | 2015 |
| Solvent effect on cation–π interactions with Al3+ J Larrucea Journal of molecular modeling 18, 4349-4354, 2012 | 7 | 2012 |
| Ordering the amorphous–Structures in PBD LED materials F Emmerling, I Orgzall, B Dietzel, B Schulz, J Larrucea Journal of molecular structure 1030, 209-215, 2012 | 5 | 2012 |
| Car–Parrinello molecular dynamics study of the coordination on Al3+ (aq) J Larrucea Physica Scripta 84 (4), 045305, 2011 | 5 | 2011 |
| Polymorphism in amorphous Ge2Sb2Te5: comparison of melt-quenched and as-deposited structures J Akola, J Larrucea, RO Jones European Phase-Change and Ovonics Symposium 2010, 128, 2010 | 3 | 2010 |
| Ab-Initio Molecular Dynamics Study of Structural Modifications at Aromatic Aminoacids Triggered by Al (III) J Larrucea Master’s thesis, University of the Basque Country, 2007 | 1 | 2007 |
| A Simple Visual Overview of Qiskit-Nature's Components for Ab-Initio Calculations J Larrucea | | 2023 |
| Density functional/molecular dynamics simulations of nucleus-driven crystallization of amorphous Ge2Sb2Te5 J Akola, J Kalikka, J Larrucea, RO Jones Verhandlungen der Deutschen Physikalischen Gesellschaft, 2013 | | 2013 |
| CPMD simulation of Cu2+--phenylalanine complex under micro-solvated environment A Ganesan, J Dreyer, F Wang, J Akola, J Larrucea arXiv preprint arXiv:1305.5288, 2013 | | 2013 |
| Polymorphism in amorphous Ge2Sb2Te5: comparison of melt-quenched and as-deposited structures J Larrucea, J Akola, RO Jones Fast Methods for Long-Range Interactions in Complex Systems, 9, 2011 | | 2011 |
| Car-Parrinello molecular dynamics studies of aqueous HCl and HF mixture K Laasonen, J Larrucea Abstracts of papers of the American Chemical Society 229, U803-U803, 2005 | | 2005 |
| 18 Ab initio modeling of aqueous systems and surface processes K Laasonen, A Sillanpää, H Pesonen, J Saukkoriipi, T Taskila, J Larrucea, ... COMPUTING IN FINLAND, 94, 0 | | |
| Ab-initio study of the Structural modification of microhydrated Aromatic Aminoacids in the Presence of Al 3 J Larrucea, JM Ugalde | | |
Dr. Aravindhan GanesanResearch Assistant Professor - ArGan's Lab, School of Pharmacy, University of WaterlooVerified email at uwaterloo.ca
