137 citations · 885 across the 28 of their papers we have counts for
Showing 2013 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2013★ 20 cited
Anhamonic finite temperature effects on the Raman and Infrared spectra to determine the crystal structure phase III of solid molecular hydrogen
Ranber Singh, Sam Azadi, Thomas D. Kühne
We present theoretical calculations of the Raman and IR spectra, as well as electronic properties at zero and finite temperature to elucidate the crystal structure of phase III of…
cond-mat.mtrl-sci2013★ 53 cited
Quantum Monte Carlo Study of High Pressure Solid Molecular Hydrogen
S. Azadi, W. M. C. Foulkes, T. D. Kuehne
We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground state phase diagram of solid molecular hydrogen and examine the stability of the most important insula…
cond-mat.mtrl-sci2013★ 77 cited
Fate of density functional theory in high-pressure solid hydrogen
S. Azadi, W. M. C. Foulkes
This paper investigates some of the successes and failures of density functional theory in the study of high-pressure solid hydrogen at low temperature. We calculate the phase diag…