Certificate in Ab Initio Calculations for Researchers
-- ViewingNowThe Certificate in Ab Initio Calculations for Researchers is a comprehensive course designed to equip learners with the essential skills necessary to perform and interpret ab initio calculations for research purposes. This certification program focuses on the importance of computational chemistry and its applications in various industries, including pharmaceuticals, materials science, and energy research.
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โข Ab Initio Calculations Introduction
โข Quantum Mechanics and Ab Initio Methods
โข Basis Sets and Wave Functions
โข Electronic Structure Calculations
โข Molecular Geometry Optimization
โข Vibrational Frequencies and Thermochemistry
โข Time-Dependent Ab Initio Methods and Spectroscopy
โข Periodic Systems and Solid State Calculations
โข Advanced Ab Initio Techniques: Coupled-Cluster and Multi-Configuration Methods
โข Applications of Ab Initio Calculations in Research
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