57 citations · 115 across the 6 of their papers we have counts for
6 papers
Ab initio inspection of thermophysical experiments for zirconium near melting
M. A. Paramonov, D. V. Minakov, V. B. Fokin +3
We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data…
Ab initio calculation of thermodynamic, transport, and optical properties of CH plastics
D. V. Knyazev, P. R. Levashov
This work covers an ab initio calculation of thermodynamic, transport, and optical properties of plastics of the effective composition CH at density 0.954 g/cm in the tempe…
Transport and optical properties of warm dense aluminum in the two-temperature regime: Ab initio calculation and semiempirical approximation
D. V. Knyazev, P. R. Levashov
This work is devoted to the investigation of transport and optical properties of liquid aluminum in the two-temperature case. At first optical properties, static electrical and the…
On the Friedel sum rule in ab initio calculations of optical properties
D. V. Knyazev, P. R. Levashov
We investigate the influence of technical parameters in dynamic electrical conductivity calculations by the Kubo-Greenwood formula on the value of the so-called sum rule. We propos…
Ab initio simulation of complex dielectric function for dense aluminum plasma
M. E. Povarnitsyn, D. V. Knyazev, P. R. Levashov
We present calculations of frequency-dependent complex dielectric function of dense aluminum plasma by quantum molecular dynamics method for temperatures up to 20 kK. Analysis show…
\textit{Ab initio} calculation of transport and optical properties of aluminum: influence of simulation parameters
D. V. Knyazev, P. R. Levashov
This work is devoted to the \textit{ab initio} calculation of transport and optical properties of aluminum. The calculation is based on the quantum molecular dynamics simulation, d…