Physics and Astronomy - Course Details
PHYS570A: Computational Biomolecular Physics (PAST/FUTURE SEMESTER)
Offering:
Sem. 1, 2, 3. Class 3, Cr. 3
Prerequisites:
Recommended background is Quantum Mechanics as taught in graduate (PHYS 660 or equivalent) or senior
undergraduate (PHYS 460 & 461 or equivalent) courses and some familiarity with computer programming. The
course is appropriate for students from physics, chemistry, biology, materials/computer science and related
disciplines.
View Additional Prerequisites
Description:
First principle (ab initio) methods provide significant insight about the electronic structure (ES) and physical properties of structures of interest in physics, chemistry, biology and materials science. These methods are particularly useful for understanding the electronic structure of molecular systems, such as active sites in metalloproteins or molecular nanostructures, and for interpreting experiments that probe their ground or excited states. This course will offer an introduction to the underlying theory and practical applications of some computational methods of electronic structure:
* Hartree-Fock Theory
* Kohn-Sham Density Functional Theory
* Car-Parinello Molecular Dynamics
For more information, please contact Prof. Jorge H. Rodriguez (270 Physics).
Instructor(s):
Rodriguez, Jorge
Email:
jhrodrig@purdue.edu
Textbook(s) for Spring 2014
| Title | Author | Edition | ISBN | Publisher | Req/Opt | Notes |
|---|---|---|---|---|---|---|
| Introduction to Molecular Symmetry(Oxford Chemistry primers) | S. Ogden | September 27, 2001 | 978-0198559108 | Oxford University Press, USA | Optional | |
| Electron Correlations in Molecules and Solids (Springer Series in Solid-State Sciences) | P. Fulde | 3rd; (October 4, 2013) | 978-3540593645 | Springer | Optional | |
| Density-Functional Theory of Atoms and Molecules | R.G. Parr & Yang Weitao | May 26, 1994 | 978-0195092769 | Oxford University Press, USA | Optional | |
| Computational Physics | J.M. Thijssen | 2nd; (April 9, 2007) | 978-0521833462 | Cambridge University Press | Optional | |
| Modern Quantum Chemistry: Introduction to Advanced Electrionic Structure Theory | Attila Szabo & Neil S. Ostlund | July 2, 1996 | 978-0486691862 | Dover Publications | Optional |
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