Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth

Aqueous fluids at elevated pressure and temperature

(2015) A. LIEBSCHER   GEOFLUIDS

Dispersion Interactions and Vibrational Effects in Ice as a Function of Pressure: A First Principles Study

(2012) Éamonn D. Murray et al.   PHYSICAL REVIEW LETTERS

On the accurate calculation of the dielectric constant from molecular dynamics simulations: The case of SPC/E and SWM4-DP water

(2011) Orsolya Gereben et al.   CHEMICAL PHYSICS LETTERS

New host for carbon in the deep Earth

(2011) E. Boulard et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Architecture of Qbox: A scalable first-principles molecular dynamics code

(2010) F. Gygi   IBM JOURNAL OF RESEARCH AND DEVELOPMENT

A model for C–O–H fluid in the Earth’s mantle

(2009) Chi Zhang et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Upper-mantle volatile chemistry at Oldoinyo Lengai volcano and the origin of carbonatites

(2009) T. P. Fischer et al.   NATURE

The Upper Mantle and Transition Zone

(2008) D. J. Frost   Elements

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Terrestrial ecosystem carbon dynamics and climate feedbacks

(2008) Martin Heimann et al.   NATURE

Melting of ice under pressure

(2008) E. Schwegler et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA