Skip to content


J. Boronat, J. Casulleras
A quantum Monte Carlo study of static properties of one 3He atom in superfluid 4He
Physical Review B 59, 8844-8851 (1999)


J. Martí
Analysis of the hydrogen bonding and vibrational spectra of supercritical model water by molecular dynamics simulations
Journal of Chemical Physics 110, 6876-6886 (1999)


S. G. Kalko, E.Guàrdia, J.A.Padró
Molecular Dynamics simulation study of the hydration of the alanine dipeptide
Journal of Physical Chemistry B 103, 3935-3941 (1999)


L. Saiz, J. A.Padró, E.Guàrdia
Dynamics and hydrogen bonding in liquid ethanol
Molecular Physics 97, 897-906 (1999)


M. Canales, J. A. Padró
Dynamic properties of Lennard-Jones fluids and liquid metals
Physical Review E 60, 551-558 (1999)


N. Anento, J. Casas, M. Canales, D. J. González, L. E. González, J. A. Padró
On the dynamical properties of the liquid LiNa alloy
Journal of Non-Crystalline Solids 250-252, 348-353 (1999)


N. Anento, J. A. Padró, M. Canales
Dynamical properties of simple liquids: dependence on the softness of the potential core
Journal of Chemical Physics 111, 10210-10216 (1999)


J. Boronat, J. Casulleras
Sampling differences in Quantum Monte Carlo: a generalised reweighting method
Computer Physics Communications 121-122, 466-467 (1999)


J. Martí, J. A. Padró
Rotation-vibration coupling in liquid water investigated by molecular dynamics simulation
Molecular Simulation 23, 55-62 (1999)


R. Rey
Isochoric temperature differentials from the computed density of the extended simple point charge model of water
Molecular Simulation 22, 169-182 (1999)


E. Guàrdia, G. Sesé, J. A. Padró, S. G. Kalko
Molecular Dynamics simulation of Mg2+ and Ca2+ ions in water
Journal of Solution Chemistry 28, 1113-1126 (1999)


S. Giorgini, J. Boronat, J. Casulleras
Ground state of a homogeneous Bose gas: a diffusion Monte Carlo study
Physical Review A 60, 5129-5132 (1999)


C. Chakravartry, M. C. Gordillo, D.M. Ceperley
Replay to a comment on "A comparison of the efficiency of Fourier and discrete-time path ntegral Monte Carlo"·
Journal of Chemical Physics 111, 7687 (1999)


M. C. Gordillo
4He/H2 binary clusters: a path integralMonte Carlo study
Physical Review B 60, 6790 (1999)


A. Serra, D. J. Bacon, R. C. Pond
Defect structure and processes in a 1-D periodic boundary
Materials Science Forum 294-296, 195-198 (1999)


Ph. Komninou, G. Nouet, Th. Kehaigas, A. Serra, Th. Karakostas
Structural characteristics of twin boundaries in deformed polycrystalline Zirconium
Materials Science Forum 294-296, 365 (1999)


Yu. N. Osetsky, D. J. Bacon, A. Serra
Atomistic simulation of mobile clusters in metals in "Modeling Radiation Defects in Metals"
Materials Research Society Symposium Proceedings 538, 649 (1999)


Yu. N. Osetsky, A. Serra, M. Victoria, S. Golubov, V. Priego.
Vacancy loops and stacking fault tetrahedra in Cu. I Structure and properties studied by pair and many-body potentials
Philosophical Magazine A 79, 2259 (1999)


Yu. N. Osetsky, A. Serra, M. Victoria, S. Golubov, V. Priego
Vacancy loops and stacking fault tetrahedra in Cu. II Growth, shrinkage, interactions with point defects and thermal stability
Philosophical Magazine A 79, 2285-2311 (1999)


Yu. N. Osetsky, D. J. Bacon, A. Serra
Mobility of vacancy and interstitial dislocation loops in metals
Philosophical Magazine Letters 79, 273-282 (1999)


A. Serra, D. J. Bacon, R. C. Pond
Dislocation in interfaces in the h.c.p. metals: I. Defects formed by absorption of crystal dislocations
Acta Materialia 47, 1425-1440 (1999)


R. C. Pond, A. Serra, D. J. Bacon
Dislocation in interfaces in the h.c.p. metals: Mechanisms of defect mobility under stress
Acta Materialia 47, 1441-1464 (1999)