Materials discovery by chemical analogy: role of oxidation states in structure prediction

Chemistry

• Oxidation Reaction 100%
• Structure 40%
• Anion 20%
• Density Functional Theory 20%
• Cation 20%
• Halide 20%
• Inorganic Compound 20%
• Metal 20%
• Procedure 20%
• Analytical Method 20%
• Phase Composition 20%
• Solid 20%
• Number 20%
• Atom 20%

Computer Science

• High Throughput 40%
• Simulation Mode 40%
• Machine Learning 20%
• Search Space 20%
• Statistical Analysis 20%
• Metastable State 20%
• Compositional Search 20%
• Probability 20%
• Design 20%
• Roles 20%