Evolutionary construction of a formation-energy convex hull: Practical scheme and application to a carbon-hydrogen binary system
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DOI: 10.1103/physrevb.101.214106
Abstract: We present an evolutionary construction technique of formation energy convex hull to search for thermodynamically stable compounds. In this technique, candidates with a wide variety of chemical compositions and crystal structures are created by systematically… read more here.
Keywords: formation energy; hydrogen; evolutionary construction; convex hull ... See more keywords