121 citations · 174 across the 5 of their papers we have counts for
7 papers
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…
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…
A Simple Generalized Gradient Approximation for the Non-interacting Kinetic Energy Density Functional
K. Luo, V. V. Karasiev, S. B. Trickey
A simple, novel, non-empirical, constraint-based orbital-free generalized gradient approximation (GGA) non-interacting kinetic energy density functional is presented along with ill…
Kubo-Greenwood Electrical Conductivity Formulation and Implementation for Projector Augmented Wave Datasets
L. Calderin, V. V. Karasiev, S. B. Trickey
As the foundation for a new computational implementation, we survey the calculation of the complex electrical conductivity tensor based on the Kubo-Greenwood (KG) formalism (J.\ Ph…