66 citations · 227 across the 19 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2022
On the calculation of phonons in real-space density functional theory
Abhiraj Sharma, Phanish Suryanarayana
We present an accurate and efficient formulation for the calculation of phonons in real-space Kohn-Sham density functional theory. Specifically, employing a local exchange-correlat…
physics.chem-ph2019★ 42 cited
Equation of state of warm-dense boron nitride combining computation, modeling, and experiment
Shuai Zhang, Amy Lazicki, Burkhard Militzer +18
The equation of state (EOS) of materials at warm dense conditions poses significant challenges to both theory and experiment. We report a combined computational, modeling, and expe…