1.3k citations · 2.4k across the 19 of their papers we have counts for
Showing 2003Show all
2 papers · 1 filter
cond-mat.mtrl-sci2003★ 91 cited
High-pressure molecular phases of solid carbon dioxide
S. A. Bonev, F. Gygi, T. Ogitsu +1
We present a theoretical study of solid carbon dioxide up to 50GPa and 1500K using first-principles calculations. In this pressure-temperature range, interpretations of recent expe…
cond-mat.mtrl-sci2003★ 29 cited
Structure and bonding of dense liquid oxygen from first principles simulations
Burkhard Militzer, Francois Gygi, Giulia Galli
Using first principles simulations we have investigated the structural and bonding properties of dense fluid oxygen up to 180 GPa. We have found that band gap closure occurs in the…