Issues in the ab-initio assessment of hcp transition metals self-diffusionPASIANOT, R. C; PEREZ, R. A.Physica. B, Condensed matter. 2012, Vol 407, Num 16, pp 3298-3300, issn 0921-4526, 3 p.Article

A many body potential for α-Zr. Application to defect propertiesPASIANOT, R. C; MONTI, A. M.Journal of nuclear materials. 1999, Vol 264, Num 1-2, pp 198-205, issn 0022-3115Article

Predicting vacancy migration energies in lattice-free environments using artificial neural networksCASTIN, N; FERNANDEZ, J. R; PASIANOT, R. C et al.Computational materials science. 2014, Vol 84, pp 217-225, issn 0927-0256, 9 p.Article

First-principles appraisal of solute ultra-fast diffusion in hcp Zr and TiPASIANOT, R. C; PEREZ, R. A.Journal of nuclear materials. 2013, Vol 434, Num 1-3, pp 158-161, issn 0022-3115, 4 p.Article

Interatomic potentials for alloys : Fitting concentration dependent propertiesBONNY, G; PASIANOT, R. C; MALERBA, L et al.Philosophical magazine (2003. Print). 2009, Vol 89, Num 8, pp 711-725, issn 1478-6435, 15 p.Article

A computational study of hcp Ti and Zr stepped surfaces : Interface sciencePASCUET, M. I; PASIANOT, R. C; MONTI, A. M et al.Journal of materials science. 2006, Vol 41, Num 19, pp 6207-6214, issn 0022-2461, 8 p.Article

Determination of the phase diagram from interatomic potentials: The iron-chromium caseBONNY, G; PASIANOT, R. C; ZHURKIN, E. E et al.Computational materials science. 2011, Vol 50, Num 7, pp 2216-2220, issn 0927-0256, 5 p.Article

Iron chromium potential to model high-chromium ferritic alloysBONNY, G; PASIANOT, R. C; TERENTYEV, D et al.Philosophical magazine (2003. Print). 2011, Vol 91, Num 10-12, pp 1724-1746, issn 1478-6435, 23 p.Article

Ab initio approach to the effect of Fe on the diffusion in hcp Zr II: The energy barriersPASIANOT, R. C; PEREZ, R. A; RAMUNNI, V. P et al.Journal of nuclear materials. 2009, Vol 392, Num 1, pp 100-104, issn 0022-3115, 5 p.Article

Ternary Fe-Cu-Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealingBONNY, G; PASIANOT, R. C; CASTIN, N et al.Philosophical magazine (2003. Print). 2009, Vol 89, Num 34-36, pp 3531-3546, issn 1478-6435, 16 p.Article

Kinetics versus thermodynamics in materials modeling: The case of the di-vacancy in ironDJURABEKOVA, F; MALERBA, L; PASIANOT, R. C et al.Philosophical magazine (2003. Print). 2010, Vol 90, Num 19-20, pp 2585-2595, issn 1478-6435, 11 p.Article

An atomistic study of formation and migration of vacancies in (1121) twin boundaries in Ti and ZrFERNANDEZ, J. R; MONTI, A. M; PASIANOT, R. C et al.Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties. 2000, Vol 80, Num 6, pp 1349-1364, issn 1364-2804Article

Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect ProjectMALERBA, L; ACKLAND, G. J; PASIANOT, R. C et al.Journal of nuclear materials. 2010, Vol 406, Num 1, pp 7-18, issn 0022-3115, 12 p.Article

Computer simulation of SIA migration in bcc and hcp metalsPASIANOT, R. C; MONTI, A. M; SIMONELLI, G et al.Journal of nuclear materials. 2000, Vol 276, pp 230-234, issn 0022-3115Conference Paper

Numerical prediction of thermodynamic properties of iron-chromium alloys using semi-empirical cohesive models : The state of the artBONNY, G; PASIANOT, R. C; MALERBA, L et al.Journal of nuclear materials. 2009, Vol 385, Num 2, pp 268-277, issn 0022-3115, 10 p.Conference Paper