Difference between revisions of "CHEM-6111"
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** Press, Teukolsky, Vetterling, and Flannery, ''Numerical Recipes'' | ** Press, Teukolsky, Vetterling, and Flannery, ''Numerical Recipes'' | ||
***[http://www.nr.com/oldverswitcher.html 2nd. Ed. free online] You can read the version for any of the coding languages; we'll focus on the discussion, not the code. | ***[http://www.nr.com/oldverswitcher.html 2nd. Ed. free online] You can read the version for any of the coding languages; we'll focus on the discussion, not the code. | ||
| − | ***[http://www.nr.com/aboutNR3electronic.html 3rd. Ed. available for purchase online] or book, 2007. ISBN 9780521884075, on reserve at Norlin. | + | ***[http://www.nr.com/aboutNR3electronic.html 3rd. Ed. available for purchase online] or book, 2007. ISBN: 9780521884075, on reserve at Norlin. |
** Allen and Tildesley, ''Computer Simulation of Liquids'', 1987. ''Selections will be posted here.'' | ** Allen and Tildesley, ''Computer Simulation of Liquids'', 1987. ''Selections will be posted here.'' | ||
| − | + | == Lectures, Reading, and Homework == | |
| + | === Introduction to computer graphing, functions and programming (Igor, 2 weeks) === | ||
| − | + | === Basic Data Analysis (Igor, 6 weeks) === | |
| − | + | * propagation of errors | |
| − | + | * Basic analysis: interpolation, area integrals, multidimensional data handling | |
| − | + | * Statistics: calculating statistical parameters, distributions, precision, uncertainty, ANOVAA | |
| − | + | * Correlation and regressions (variants) | |
| − | + | ** centered (Pearson's) vs uncentered correlation | |
| − | + | ** vertical vs orthogonal distance regression | |
| − | + | ** squared vs absolute value errors for regression | |
| − | + | ** weighted vs unweighted regression | |
| − | + | * boxcar and weighted smoothing | |
| − | + | * Signal-to-noise, noise reducing measures, signal enhancing measures, numerical high pass filters, low pass filters etc. | |
| − | + | * Fitting of custom functions | |
| − | + | === Advanced Data Analysis (Igor, 4 weeks) === | |
| − | + | * Numerical solution of ODEs | |
| − | + | * convolution (student request to IMU) | |
| − | + | * Montecarlo simulations | |
| − | + | * Positive Matrix Factorization | |
| − | + | * Frequency analysis and FFT | |
| − | + | === Data Acquisition (Labview, 3 weeks) === | |
| − | + | * Fundamentals of data acquisition | |
| − | + | * Data I/O, parsing of text files, write to file etc. | |
| − | + | * Labview: introduction and programming | |
| − | + | * Data acquisition problems brought by students from their research | |
| + | == Additional Resources == | ||
* Additional Texts | * Additional Texts | ||
** Building Scientific Apparatus (Moore, Davis, and Coplan) | ** Building Scientific Apparatus (Moore, Davis, and Coplan) | ||
Revision as of 16:01, 17 August 2012
Contents
CHEM 6111 - Special Topics - Data Analysis and Acquisition
This 3-credit course will be offered by Dr. Ingrid Ulbrich (with assistance from Prof. Jose L. Jimenez) in Fall of 2012. It will be a required course for 1st year analytical chemistry students, and optional for others.
Course Information
- Lectures: Tue & Thur 12:30 pm - 1:45 pm, Ekeley W166
- Office Hours: TBD
- Required Texts
- Taylor, Error Analysis, 2nd. Ed., 1997. ISBN: 093570275X, on reserve at Norlin
- Press, Teukolsky, Vetterling, and Flannery, Numerical Recipes
- 2nd. Ed. free online You can read the version for any of the coding languages; we'll focus on the discussion, not the code.
- 3rd. Ed. available for purchase online or book, 2007. ISBN: 9780521884075, on reserve at Norlin.
- Allen and Tildesley, Computer Simulation of Liquids, 1987. Selections will be posted here.
Lectures, Reading, and Homework
Introduction to computer graphing, functions and programming (Igor, 2 weeks)
Basic Data Analysis (Igor, 6 weeks)
- propagation of errors
- Basic analysis: interpolation, area integrals, multidimensional data handling
- Statistics: calculating statistical parameters, distributions, precision, uncertainty, ANOVAA
- Correlation and regressions (variants)
- centered (Pearson's) vs uncentered correlation
- vertical vs orthogonal distance regression
- squared vs absolute value errors for regression
- weighted vs unweighted regression
- boxcar and weighted smoothing
- Signal-to-noise, noise reducing measures, signal enhancing measures, numerical high pass filters, low pass filters etc.
- Fitting of custom functions
Advanced Data Analysis (Igor, 4 weeks)
- Numerical solution of ODEs
- convolution (student request to IMU)
- Montecarlo simulations
- Positive Matrix Factorization
- Frequency analysis and FFT
Data Acquisition (Labview, 3 weeks)
- Fundamentals of data acquisition
- Data I/O, parsing of text files, write to file etc.
- Labview: introduction and programming
- Data acquisition problems brought by students from their research
Additional Resources
- Additional Texts
- Building Scientific Apparatus (Moore, Davis, and Coplan)
