Prediction of new stable crystal structures for ternary ErAgTe2
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Crystal Structure Prediction Approach to Explore the Iron Carbide Phases: Novel Crystal Structures and Unexpected Magnetic Properties
Engin DELIGOZ, Professor, Ph. D., Aksaray Üniversitesi, Aksaray
Calculated defect formation enthalpies D H d,q in trigonal Tm oh Ag oh
Predicting Band Gaps with Hybrid Density Functionals
Crystal structure prediction from first principles
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Spatial dependence of Young's modulus, shear modulus, Poisson's ratio
Metals, Free Full-Text
Crystal structure prediction at finite temperatures
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Novel inorganic crystal structures predicted using autonomous simulation agents, Materials Science, ChemRxiv
Synthesis and characterization of ternary NiO@Bi2MoO6–MoS heterojunction with enhanced photodegradation efficiency towards indigo carmine dye - ScienceDirect
Engin DELIGOZ, Professor, Ph. D., Aksaray Üniversitesi, Aksaray
A New Ternary Alloy of Cr2CuAl and its Structures
COPEX: co-evolutionary crystal structure prediction algorithm for complex systems