99 citations · 254 across the 7 of their papers we have counts for
8 papers
Comment on 'Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase'
C. Cazorla, D. Alfè, M. J. Gillan
There has been a major controversy over the past seven years about the high-pressure melting curves of transition metals. Static compression (diamond-anvil cell: DAC) experiments u…
Two-dimensional molecular para-hydrogen and ortho-deuterium at zero temperature
C. Cazorla, J. Boronat
We study molecular para-hydrogen (p-) and ortho-deuterium (o-) in two dimensions and in the limit of zero temperature by means of the diffusion Monte Carl…
Bose-Einstein Quantum Statistics and the Ground State of Solid 4He
C. Cazorla, G. E. Astrakharchik, J. Casulleras +1
The ground state of solid He is studied using the diffusion Monte Carlo method and a new trial wave function able to describe the supersolid. The new wave function is symmetric…
Zero-temperature generalized phase diagram of the 4d transition metals under pressure
C. Cazorla, D. Alf`e, M. J. Gillan
We use an accurate implementation of density functional theory (DFT) to calculate the zero-temperature generalized phase diagram of the 4 series of transition metals from Y to P…
Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations
C. Cazorla, M. J. Gillan, S. Taioli +1
We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0-400 GPa, using density functional theory (DFT) in the projector augmented…
Ab initio melting curve of molybdenum by the phase coexistence method
C. Cazorla, M. J. Gillan, S. Taioli +1
We report ab initio calculations of the melting curve of molybdenum for the pressure range 0-400 GPa. The calculations employ density functional theory (DFT) with the Perdew-Burke-…