Undergraduate Certificate in Principles of Computational Chemistry
-- ViewingNowThe Undergraduate Certificate in Principles of Computational Chemistry is a comprehensive course that introduces learners to the fundamental concepts and techniques of computational chemistry. This certificate course is essential for students and professionals who want to gain a solid understanding of the theoretical and practical aspects of computational chemistry, and how it can be applied to solve complex chemical problems.
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โข Introduction to Computational Chemistry: Fundamentals of computational chemistry, basics of quantum mechanics, and the importance of computational methods in chemistry.
โข Quantum Chemistry: Schrรถdinger equation, orbital theory, and electronic structure calculations.
โข Molecular Mechanics: Force fields, potential energy functions, and molecular dynamics simulations.
โข Quantum Chemistry Software: Gaussian, GAMESS, ORCA, and other popular quantum chemistry software packages.
โข Computational Methods for Organic Chemistry: Strain analysis, conformational searching, and reactivity predictions.
โข Computational Methods for Inorganic Chemistry: Transition metal complexes, ligand field theory, and spectroscopic properties.
โข Computational Methods for Materials Science: Density functional theory, band structures, and defect calculations.
โข Machine Learning in Computational Chemistry: Artificial intelligence, neural networks, and their applications in computational chemistry.
โข Data Analysis in Computational Chemistry: Visualization tools, data interpretation, and uncertainty quantification.
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