135 citations · 135 across the 1 of their papers we have counts for
4 papers
Phase separation in hydrogen-helium mixtures at Mbar pressures
M. A. Morales, E. Schwegler, D. M. Ceperley +3
The properties of hydrogen-helium mixtures at Mbar pressures and intermediate temperatures (4000 to 10000 K) are calculated with first-principles molecular dynamics simulations. We…
A quantum fluid of metallic hydrogen suggested by first-principles calculations
Stanimir A. Bonev, Eric Schwegler, Tadashi Ogitsu +1
It is generally assumed that solid hydrogen will transform into a metallic alkali-like crystal at sufficiently high pressure. However, some theoretical models have also suggested t…
Towards an assessment of the accuracy of density functional theory for first principles simulations of water II
E. Schwegler, G. C. Grossman, F. Gygi +1
A series of 20 ps ab initio molecular dynamic simulations of water at ambient density and temperatures ranging from 300 to 450K are presented. Both Car-Parrinello (CP) and Born-Opp…
A first principles simulation of rigid water
M. Allesch, E. Schwegler, F. Gygi +1
We present the results of Car-Parrinello (CP) simulations of water at ambient conditions and under pressure, using a rigid molecule approximation. Throughout our calculations, wate…