Chemistry & Chemical Biology
CHEM 5641: Computational Chemistry
Lecture - 3 credits
ND
EI
IC
FQ
SI
AD
DD
ER
WF
WD
WI
EX
CE
- Introduces basic concepts, methods, techniques, and recent advances in computational chemistry and their relevance to experimental characterizations such as spectroscopy.
- Topics include electronic structure theory (wave function theory and density functional theory), principles of molecular dynamics simulations, multiscale modeling, machine learning, and quantum computing relevant to computational chemistry.
- Builds a theoretical foundation for students to properly choose computational methods to solve common research problems in chemistry, biochemistry, and materials science.
- Also introduces the field of research in computational chemistry.
- Suitable for advanced undergraduate students and graduate students who plan to conduct research in the field of computational chemistry or plan to utilize computational techniques to complement experimental research in the molecular sciences.
Introduces basic concepts, methods, techniques, and recent advances in computational chemistry and their relevance to experimental characterizations such as spectroscopy. Show more.