activity
20042018
most citedTowards an assessment of the accuracy of density functional theory for first principles simulations of water II

358 citations · 1.2k across the 8 of their papers we have counts for

collaborators

8 papers

physics.plasm-ph2018★ 3 cited

A first-principles global multiphase equation of state for hydrogen

Alfredo A. Correa, Lorin X. Benedict, Miguel A. Morales +3

We present and discuss a wide-range hydrogen equation of state model based on a consistent set of ab initio simulations including quantum protons and electrons. Both the process of…

cond-mat.mtrl-sci2013★ 168 cited

A multiphase equation of state for carbon addressing high pressures and temperatures

Lorin X. Benedict, Kevin P. Driver, Sebastien Hamel +4

We present a 5-phase equation of state (EOS) for elemental carbon. The phases considered are: diamond, BC8, simple-cubic, simple-hexagonal, and the liquid/plasma state. The solid p…

astro-ph.EP2010★ 156 cited

Mass-radius relationships for exoplanets

Damian Swift, Jon Eggert, Damien Hicks +6

For planets other than Earth, interpretation of the composition and structure depends largely on comparing the mass and radius with the composition expected given their distance fr…

cond-mat.mtrl-sci2009★ 135 cited

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…

cond-mat.mtrl-sci2004★ 306 cited

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…

cond-mat.mtrl-sci2004★ 37 cited

Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the -point

C. J. Tymczak, Valéry T. Weber, Eric Schwegler +1

A translationally invariant formulation of the Hartree-Fock (HF) -point approximation is presented. This formulation is achieved through introduction of the Minimum Image Conven…