This course explores recent advances and current trends in computational chemistry and may include review of literature, hands-on tutorials, student discussions, and presentations. Lecture topics may include machine learning, scientific software development, high-performance computing, electronic structure theory, modeling chemical reactivity, molecular dynamics simulations, chemical reactions, spectroscopy, and quantum computing. (1.5 credit units). PREREQUISITE: CHEM 313 or CHEM 413 or equivalent or permission of instructor.
This course explores recent advances and current trends in computational chemistry and may include review of literature, hands-on tutorials, student discussions, and presentations. Lecture topics may include machine learning, scientific software development, high-performance computing, electronic structure theory, modeling chemical reactivity, molecular dynamics simulations, chemical reactions, spectroscopy, and quantum computing. (1.5 credit units). PREREQUISITE: CHEM 313 or CHEM 413 or equivalent or permission of instructor.
