Prediction and Hydrogen Acceleration of Ordering in Iron-Vanadium Alloys

AFLOW: An automatic framework for high-throughput materials discovery

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

Positive Vibrational Entropy of Chemical Ordering in FeV

(2011) J. A. Muñoz et al.   PHYSICAL REVIEW LETTERS

Ab initiodensity-functional calculations in materials science: from quasicrystals over microporous catalysts to spintronics

(2010) Jürgen Hafner   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogen-vanadium system in thin films: Effect of film thickness

(2010) J. Bloch et al.   PHYSICAL REVIEW B

The New Face of Rhodium Alloys: Revealing Ordered Structures from First Principles

(2009) Ohad Levy et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles solubilities of alkali and alkaline-earth metals in Mg-B alloys

(2009) Roman V. Chepulskii et al.   PHYSICAL REVIEW B

Data mining and accelerated electronic structure theory as a tool in the search for new functional materials

(2008) C. Ortiz et al.   COMPUTATIONAL MATERIALS SCIENCE

First-Principles Prediction of a Ground State Crystal Structure of Magnesium Borohydride

(2008) V. Ozolins et al.   PHYSICAL REVIEW LETTERS