137 citations · 885 across the 28 of their papers we have counts for
14 papers · 1 filter
Equation of state of atomic solid hydrogen by stochastic many-body wave function methods
Sam Azadi, George H. Booth, Thomas D. Kühne
We report a numerical study of the equation of state of crystalline body-centered-cubic (BCC) hydrogen, tackled with a variety of complementary many-body wave function methods. The…
GW space-time method: Energy band-gap of solid hydrogen
Sam Azadi, Arkadiy Davydov, Evgeny Kozik
We implement the GW space-time method at finite temperatures, in which the Green's function G and the screened Coulomb interaction W are represented in the real space on a suitable…
An efficient method for grand-canonical twist averaging in quantum Monte Carlo calculations
Sam Azadi, W. M. C. Foulkes
We introduce a simple but efficient method for grand-canonical twist averaging in quantum Monte Carlo calculations. By evaluating the thermodynamic grand potential instead of the g…
Nuclear Quantum Effects Induce Metallization of Dense Solid Molecular Hydrogen
Sam Azadi, Ranber Singh, T. D. Kühne
We present an accurate computational study of the electronic structure and lattice dynamics of solid molecular hydrogen at high pressure. The band-gap energies of the , ,…
The role of van der Waals and exchange interactions in high-pressure solid hydrogen
Sam Azadi, Graeme J. Ackland
We investigate the van der Waals interactions in solid molecular hydrogen structures. We calculate enthalpy and the Gibbs free energy to obtain zero and finite temperature phase di…
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…