Computational Chemistry and Chemical Engineering
As an artifact of the digital generation, today’s computer models reconstruct chemical processes by merging principals of classical & quantum physics. Computational Chemistry Laboratory, allows the computational chemist to perform a comprehensive series of molecular indices/properties calculations and data analysis. Supercomputers are used by Computational chemists to find solutions to problems & to generate simulations that reduce enormous amounts of data which is otherwise very time consuming. Other important instruments include electronic structure methods, quantitative structure–activity relationships, cheminformatics, full statistical analysis & molecular dynamics simulations. To integrate chemical theory and modeling with experimental observations computational chemists use large databases, mathematical algorithms & statistics. The discipline which influences numerous areas of technology is Chemical engineering. Chemical engineers have opportunities in pharmaceuticals, environmental engineering, electronic device fabrication and biotechnology. The role is to design processes to produce, transform and transport chemicals through full-scale production. When processes involve the chemical or physical transformation of matter, chemical engineers are essential.
- Electronic structure methods