Any computational chemists in the house?

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The discussion centers on the growing interest in computational chemistry as a potential career path. Key topics include recommendations for educational programs, emphasizing the importance of working with reputable professors rather than the institution itself. Notable journals for research in the field are mentioned, such as the Journal of Chemical Physics and the Journal of Quantum Chemistry. The conversation highlights the broad scope of computational chemistry, which encompasses areas like reaction dynamics, statistical mechanics, and quantum chemistry. There is a specific interest in applying computational chemistry within the pharmaceutical industry, particularly for predicting binding constants of compounds. Resources for further exploration, including tutorials on molecular dynamics and energy minimization techniques, are shared to aid newcomers in understanding the field better. The future job market for computational chemists is implied to be promising, especially in industry applications.
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I was wondering if anyone on here does any computational chemistry. I am starting to become very interested in comp. chem., possibly as a career. what are some good schools that have physical/comp. chem programs? any good websites that describe in more detail what comp. chem is exactly about? what does the future job market look like for a comp. chemist?
 
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Computational chemistry is a rather broad term that includes everything from numerically solving ODEs and PDEs (reaction dynamics), statistcal mechanics, molecular mechanics, and molecular orbital theory (quantum chemistry). If you could be a little more specific it would help. As for schools, well it's not the school that's important, but rather the professor you due your work with. Work the literature to see who's who these days (I'm a little out dated here). I'd suggest J. Chem. Phys., J. Quantum Chemistry, J. Phys. Chem., and J. Am. Chem. Soc.
 
One of the fundamental theories used in most computational chemistry is quantum mechanics so here's a link to the basics:

http://cmm.info.nih.gov/modeling/guide_documents/quantum_mechanics_document.html
 
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I was mostly interested in doing comp. chem in the pharmaceutical industry. I know the comp. chemists where I work use comp. chem to predict binding constants of compounds that we make in the lab for a targeted receptor.
 
OK it's molecular dynamics your interested in check out this link:

http://cmm.info.nih.gov/modeling/guide_documents/molecular_dynamics_document.html
 
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thanks for the advice!
 
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thanks for the info
 

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