Theoretical Chemistry Innovations:

Theoretical chemists investigate theoretical methods which will predict the outcomes of chemical experiments. ... Some samples of theoretical chemists are computational chemists, mathematical chemists, and chemical informaticians. Materials scientists tend to specialize by the fabric they work with most frequently. Such fact-supported theories are not "guesses" but reliable accounts of the real world. Theoretical chemistry tries to explain data from chemistry experiments. ... It also predicts chemical properties of molecules. This is using quantum mechanics to understand valency the number of bonds formed by an atom of an element. Theoretical Computational Chemistry. Research in theoretical and computational chemistry combines concepts from classical, quantum, and physics with high performance computational methods to review molecular/bimolecular properties and reactions. Research in theoretical and computational chemistry combines concepts from classical, quantum, and physics with high performance computational methods to review molecular/biomolecular properties and reactions. Chemical theory seeks to explain the underlying physical phenomena that produce to chemistry and therefore the properties of atoms, molecules, and materials. The resultant theories and models typically cause mathematical problems that are so complex, they will only be solved using computer-based techniques. Computational chemistry is additionally wont to study the elemental properties of atoms, molecules, and chemical reactions, using quantum physics and thermodynamics. Computational chemists use mathematical algorithms, statistics, and enormous databases to integrate chemical theory and modeling with experimental observations.