Computational Chemistry in undergrad?

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Discussion Overview

The discussion revolves around the educational pathway for a math/computer science major interested in contributing to Computational/Theoretical Chemistry. Participants explore necessary coursework and resources for undergraduates aiming to engage in this interdisciplinary field.

Discussion Character

  • Exploratory
  • Technical explanation
  • Homework-related

Main Points Raised

  • One participant inquires about the essential courses to take in undergraduate studies to effectively assist in Computational Chemistry, noting their background in math and computer science.
  • Another participant suggests researching potential graduate programs and contacting professors for advice on course requirements and opportunities.
  • A third participant shares a resource link to a Summer REU brochure that outlines classes and interests relevant to Computational Quantum Chemistry, indicating it may be beneficial for others with similar questions.
  • Another participant mentions that individuals who previously attended the REU found it to be a positive experience, although they were primarily chemistry majors.
  • A suggestion is made to check a related discussion on the forum for additional insights into the role of a computational chemist.

Areas of Agreement / Disagreement

Participants do not reach a consensus on specific courses or pathways, and multiple perspectives on how to approach the field are presented.

Contextual Notes

Some limitations include the potential variability in course requirements across different institutions and the dependence on individual research interests and goals.

Who May Find This Useful

Undergraduate students in math or computer science considering a career in Computational Chemistry, as well as those interested in interdisciplinary studies between chemistry and computational methods.

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Hey there folks!

I'm a math/computer science major focusing on scientific computing and I was wondering what courses I would need to take in my undergrad to be able to help out in Computational/Theoretical Chemistry. I've taken general chem and taking P Chem soon, is this enough or are there other courses I would need to be helpful? Obviously since I'm not chemistry I won't be focusing as much on the actual chemistry and I'll have to work directly with a chemist most of the time, but how much do I need to know before he's not simply dragging me along with him(lol)? Also, are there any math courses that would be especially beneficial? I've taken Linear Algebra, Differential Equations, Vector Analysis, Numerical Analysis, and I'm going to take Partial Differential Equations and Fourier Series concurrently with P Chem. Thanks!
 
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If you have picked the school you will do your grad work it is easier. Or you have a few possible choices.

Google up those schools and see if their course calendars are on line. You can get information about requirements, admission standards, and so on. Possibly you can get info about courses that will be helpful. Possibly you can even email some of the profs you might like to work with and get their advice. They can also tell you if they might have room for a new grad student about the time you would finish undergrad. If they've already got nine you might like to pick another prof.
 
So I did a little research, and I think I found a good place if anyone else has the same question as me(in an attempt to prevent re-inventing the wheel). It's the 2012 brochure for a Summer REU in Computational Chemistry at the University of Georgia and it has a list of classes and interests that would be required for doing research in Computational Quantum Chemistry. Here's the link:
http://www.ccqc.uga.edu/summer//files/CCQC_Summer_Brochure_2012.pdf

Thanks for the advice, DEvens. If any computational chemists are out there lurking and would care to chime in for their individual input, I'd be grateful, but I think I've found a starting place.
 

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