Global Certificate in Computational Chemistry Tools
-- ViewingNowThe Global Certificate in Computational Chemistry Tools is a comprehensive course designed to equip learners with the essential skills required to excel in the field of computational chemistry. This course is critical for professionals seeking to enhance their understanding of computational methods and techniques used in chemical research and development.
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โข Quantum Chemistry: Understanding the principles of quantum mechanics and their application in chemistry. This unit will cover the basics of wave functions, Schrรถdinger equation, and atomic and molecular orbitals. โข Computational Methods: An introduction to computational methods used in quantum chemistry, including Hartree-Fock, Density Functional Theory (DFT), and post-Hartree-Fock methods. โข Molecular Modeling: Learn the fundamentals of molecular modeling, including force fields, molecular mechanics, and geometry optimization. This unit will also cover the use of molecular visualization tools. โข Quantum Chemistry Software: Hands-on experience with popular quantum chemistry software packages such as Gaussian, GAMESS, and Psi4. This unit will cover the basics of software installation, configuration, and usage. โข Computational Chemistry Applications: Explore the application of computational chemistry in various fields, including drug discovery, materials science, and environmental science. This unit will cover case studies and real-world examples. โข Data Analysis and Visualization: Learn how to analyze and visualize computational chemistry data using statistical analysis and data visualization tools such as R and Tableau. โข High-Performance Computing: Understand the principles of high-performance computing and how it can be used to accelerate computational chemistry simulations. This unit will cover the basics of parallel computing, distributed computing, and cloud computing. โข Computational Chemistry Ethics: Discuss the ethical considerations of computational chemistry, including data privacy, intellectual property, and research integrity.
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