Certificate in Computational Methods for Chemistry
-- ViewingNowThe Certificate in Computational Methods for Chemistry is a comprehensive course that bridges the gap between chemistry and technology. This program emphasizes the importance of computational chemistry in modern scientific research, addressing industry demand for professionals with expertise in this area.
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โข Introduction to Computational Chemistry: Fundamentals of computational methods, quantum chemistry, molecular mechanics, and molecular dynamics.
โข Quantum Chemistry: Schrรถdinger equation, orbital approximation methods, Hartree-Fock method, density functional theory, post-Hartree-Fock methods.
โข Molecular Mechanics: Force fields, potential energy functions, molecular dynamics simulations.
โข Monte Carlo Methods: Basic principles, applications in statistical mechanics, molecular simulations.
โข Molecular Dynamics Simulations: Integration algorithms, thermostats, barostats, trajectory analysis.
โข Quantum Chemistry Software Packages: Gaussian, Psi4, QChem, ORCA, NWChem.
โข Computational Methods for Spectroscopy: Vibrational spectroscopy, electronic spectroscopy, magnetic resonance spectroscopy.
โข Computational Chemistry in Drug Discovery: Molecular docking, molecular dynamics simulations, free energy calculations.
โข Computational Methods for Materials Science: Density functional theory, molecular dynamics simulations, defects and transport properties.
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