Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures

Coordinated Hard Sphere Mixture (CHaSM): A simplified model for oxide and silicate melts at mantle pressures and temperatures

(2015) Aaron S. Wolf et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Prediction of new thermodynamically stable aluminum oxides

(2015) Yue Liu et al.   Scientific Reports

Novel stable compounds in the Mg–O system under high pressure

(2013) Qiang Zhu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Unexpected Stable Stoichiometries of Sodium Chlorides

(2013) W. Zhang et al.   SCIENCE

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

Persistence and Eventual Demise of Oxygen Molecules at Terapascal Pressures

(2012) Jian Sun et al.   PHYSICAL REVIEW LETTERS

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Two-stage dissociation in MgSiO3 post-perovskite

(2011) Koichiro Umemoto et al.   EARTH AND PLANETARY SCIENCE LETTERS

Prediction of a hexagonal SiO2 phase affecting stabilities of MgSiO3 and CaSiO3 at multimegabar pressures

(2011) T. Tsuchiya et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Evolutionary Crystal Structure Prediction as a Method for the Discovery of Minerals and Materials

(2010) A. R. Oganov et al.   Reviews in Mineralogy & Geochemistry

A little bit of lithium does a lot for hydrogen

(2009) E. Zurek et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B