137 citations · 217 across the 4 of their papers we have counts for
4 papers
High-Pressure Hydrogen Sulfide by Diffusion Quantum Monte Carlo
Sam Azadi, Thomas D. Kühne
We use the diffusion quantum Monte Carlo to revisit the enthalpy-pressure phase diagram of the various products from the different proposed decompositions of HS at pressures ab…
Nature of the Metallization Transition in Solid Hydrogen
Sam Azadi, N. D. Drummond, W. M. C. Foulkes
We present an accurate study of the static-nucleus electronic energy band gap of solid molecular hydrogen at high pressure. The excitonic and quasiparticle gaps of the , …
Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo
Sam Azadi, R. E. Cohen
We study the low-pressure (0 to 10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo (QMC) and density functional theory (DFT) methods. We consider the , $P…
Dissociation of high-pressure solid molecular hydrogen: Quantum Monte Carlo and anharmonic vibrational study
Sam Azadi, Bartomeu Monserrat, W. M. C. Foulkes +1
A theoretical study is reported of the molecular-to-atomic transition in solid hydrogen at high pressure. We use the diffusion quantum Monte Carlo method to calculate the static la…