Computational Chemistry in undergrad?

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To effectively contribute to Computational/Theoretical Chemistry as a math/computer science major, foundational knowledge in chemistry is essential, particularly after completing general chemistry and physical chemistry (P Chem). While direct chemistry expertise may not be the primary focus, understanding key concepts will enhance collaboration with chemists. Recommended math courses include Linear Algebra, Differential Equations, Vector Analysis, Numerical Analysis, and Partial Differential Equations, which are crucial for computational applications. Researching potential graduate programs and their course offerings is advised, as well as reaching out to professors for guidance on necessary coursework and opportunities. Resources like the University of Georgia's Summer REU brochure provide valuable insights into required classes for research in Computational Quantum Chemistry. Engaging with the community through discussions and forums can also offer additional perspectives on the field.
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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.
 
Given the current funding situation, you should contact potential departments or research groups before you apply and pay any application fees. Many programs are not taking new graduate students at all this cycle because of funding uncertainty, unless a specific advisor can show they already have money to support you for five years. This is what I’ve heard directly from 20–30 programs. Do not waste money applying blindly.
Hi community My aim is to get into research about atoms, specifically, I want to do experimental research that explores questions like: 1. Why do Gallium/Mercury have low melting points 2. Why are there so many exceptions and inconsistencies when it comes to explaining molecular structures / reaction mechanisms in inorganic and organic chemistry 3. Experimental research about fundamental Quantum Mechanics, such as the one being followed by Hiroshima university that proved that observing...

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