113 citations · 134 across the 4 of their papers we have counts for
7 papers
Electride behavior at high pressure in silicon and other elements in solid and liquid phases
Salma Ahmed, Felipe González-Cataldo, Victor Naden Robinson +1
Electrides are materials in which some of the electrons are localized at the interstitial sites rather than around the atoms or along atomic bonds. Most elemental electrides are ei…
Experimental Pathways for Detecting Double Superionicity in Planetary Ices
Kyla de Villa, Felipe Gonzalez-Cataldo, Burkhard Militzer
The ice giant planets Uranus and Neptune are assumed to contain large amounts of planetary ices such as water, methane, and ammonia. The properties of mixtures of such ices at the…
High Pressure Phase Diagram of Beryllium from \emph{Ab Initio} Free Energy Calculations
Jizhou Wu, Felipe Gonzalez, Burkhard Militzer
We use first principles molecular dynamics simulations coupled to the thermodynamic integration method to study the hcp-bcc transition and melting of beryllium up to a pressure of…
First-Principles Equation of State Database for Warm Dense Matter Computation
Burkhard Militzer, Felipe Gonzalez-Cataldo, Shuai Zhang +2
We put together a first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional mo…
Nonideal Mixing Effects in Warm Dense Matter Studied with First-Principles Computer Simulations
Burkhard Militzer, Felipe Gonzalez-Cataldo, Shuai Zhang +3
We study nonideal mixing effects in the regime of warm dense matter (WDM) by computing the shock Hugoniot curves of BN, MgO, and MgSiO_3. First, we derive these curves from the equ…
Equation of State of Hot, Dense Magnesium Derived with First-PrinciplesComputer Simulations
Felipe González-Cataldo, François Soubiran, Burkhard Militzer
Using two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, we derive the equation of state of magnesium…