First principles prediction of a new high-pressure phase of dense hydrous magnesium silicates in the lower mantle

First-principles prediction of a high-pressure hydrous phase of AlOOH

(2011) Jun Tsuchiya et al.   PHYSICAL REVIEW B

Ground-state structures of ice at high pressures fromab initiorandom structure searching

(2011) Jeffrey M. McMahon   PHYSICAL REVIEW B

Ultrahigh-pressure phases of H2O ice predicted using an adaptive genetic algorithm

(2011) Min Ji et al.   PHYSICAL REVIEW B

High pressure ices

(2011) A. Hermann et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First principles determination of the structure and elasticity of hydrous ringwoodite

(2010) Wendy R. Panero   JOURNAL OF GEOPHYSICAL RESEARCH

Ab initio investigations of native and protonic point defects in Mg2SiO4 polymorphs under high pressure

(2009) Ashok K. Verma et al.   EARTH AND PLANETARY SCIENCE LETTERS

First principles investigation of the structural and elastic properties of hydrous wadsleyite under pressure

(2009) Jun Tsuchiya et al.   JOURNAL OF GEOPHYSICAL RESEARCH

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Elastic properties of δ-AlOOH under pressure: First principles investigation

(2009) Jun Tsuchiya et al.   PHYSICS OF THE EARTH AND PLANETARY INTERIORS

Slabs and shear wave reflectors in the midmantle

(2008) Anna M. Courtier et al.   JOURNAL OF GEOPHYSICAL RESEARCH