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Prediction of equilibrium Li isotope fractionation between minerals and aqueous solutions at high P and T: an efficient ab initio approach
equilibrium isotope fractionation aqueous solutions efficient initio approach
2011/10/14
The mass-dependent equilibrium stable isotope fractionation between different materials is an important geochemical process. Here we present an efficient method to compute the isotope fractionation be...
Ab initio Stellar Astrophysics: Reliable Modeling of Cool White Dwarf Atmospheres
Solar and Stellar Astrophysics (astro-ph.SR) Materials Science (cond-mat.mtrl-sc)
2010/12/27
Over the last decade {\it ab initio} modeling of material properties has become widespread in diverse fields of research. It has proved to be a powerful tool for predicting various properties of matte...