244 citations · 1.2k across the 20 of their papers we have counts for
5 papers · 1 filter
Elucidation of the subcritical character of the liquid--liquid transition in dense hydrogen
Valentin V. Karasiev, Joshua Hinz, S. X. Hu +1
The liquid-liquid phase transition in high-pressure Hydrogen is a problem of longstanding and controversy. The recent Nature paper by Cheng et al. [vol. 585, p. 217] makes a set of…
Carbon-Doped Sulfur Hydrides as Room-Temperature Superconductors at 270 GPa
S. X. Hu, R. Paul, V. V. Karasiev +1
To understand the most-recent experiment on room-temperature superconductivity in carbonaceous sulfur hydride (CSH) systems under high pressure, we have performed extensive stoichi…
Electronic structure of semiconductor nanoparticles from stochastic evaluation of imaginary-time path integral
Andrei Kryjevski, Thomas Luu, Valentin Karasiev
In the Kohn-Sham orbital basis imaginary-time path integral for electrons in a semiconductor nanoparticle has a mild Fermion sign problem and is amenable to evaluation by the stand…
Fully Consistent Density Functional Theory Determination of the Insulator-Metal Transition Boundary in Warm Dense Hydrogen
Joshua Hinz, Valentin V. Karasiev, S. X. Hu +4
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamic…
Towards accurate orbital-free simulations: a generalized gradient approximation for the non-interacting free energy density functional
Kai Luo, Valentin V. Karasiev, S. B. Trickey
For orbital-free {\it ab initio} molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient a…