XtalOpt is a free and truly open source evolutionary algorithm designed for a priori crystal structure prediction.
Using features (properties) calculated by external codes, XtalOpt can perform multi-objective global optimization to find novel (meta)stable phases of functional materials.
Example of a Hardness vs. Energy plot generated during a hardness search with XtalOpt.
Example of using Avogadro2 to render a crystal via RPC.
Options for the "mitosis" function found in the "Structure Limits" tab.