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Computational vs Chem. E? Desired Career Uses Both


ktk

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I'm a ChemE major with a research interest in simulations within ChemE. I have a CS minor, but have done better in CS than in chemE... I plan to take a grad-level CS class next semester on scientific computing (it includes some molecular dynamics, my primary research interest).
 
The situation: I'm late to research, grades not phenomenal, have a lot of CS-related work.
 
- ~1 year of computational research (ChemE advisor). My first paper (probably not 1st author) will probably NOT be accepted by when I apply.
- Interdisciplinary computational research internship this summer at a federally funded R&D center. No clue if it'll be publishable.
- GRE: First practice tests showing around V: ~160 / Q: 165+. I've set 2 months to grind GREs out.
- GPA: ~3.6 right now (stats on thegradcafe acceptances extremely worrying)
- Part of a new web-startup... Who cares? See below
 
I'd like to believe my work in code could somewhat offset a "lower" GPA (BUT HEY, everyone's busy!!). The difference is that I spent more time on that, while others (wisely?) spent their time on coursework and pure ChemE research. In the lab and stuff. I can't do anything about the past.
 
ChemE programs certainly won't care about my CS work, so I'm wondering about alternatives: will computational engineering programs appreciate experience from a startup more? At all? 
 
- For instance: Stanford ICME (with chemE research) vs ChemE; odds better for ICME than ChemE? 
- For instance: MIT CSE (with a chemE option) vs ChemE; odds better for CSE than ChemE?
 
(Just examples. Not that I expect to get into the above with 3.6?/0pub?/FML)
 
And would chemE LoRs would be less meaningful for computational engineering department apps? Though at both research sites, I do computational work... What if I have a chemE prof as my 3rd? Would a CS prof LoR be better for computational engineering? There's not a lot of info on computational engineering programs due to their relative age.
 
Also, any recommendations for programs that really excel in molecular-scale nano-bio simulations?
(Perhaps outside the well-regarded top10-chemE range? :)
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We have very similar research interests! I have lots of research experience in biophysical modeling and molecular dyanmics simulations and plan to apply to phd programs in the fall to continue working on these kinds of problems. You might actually find  biophyics and computational biology programs a great fit. The phd programs that I will applying to to to MD/modeling work include biophysics, comp bio, quanitative biology, biochem, etc. it really depends on where a school puts the professors doing this sort of research so I would not plan on applying to chemE vs computational programs, I would apply to whichever program that particular school has put the professors who you share interests with.

 

Also, I would focus less on which programs will care about your CS experience and instead shift your focus to which programs have professors doing what you want to do. chem engineering is a great major for moving into phd programs like biophysics and biocehm if that is your interest. Again, admission it is about how you fit with particular departments, not about whether you should apply to chemE or computational engineering.

 

Feel free to PM if you want me to direct you to particular departments heavy in MD and computational chemistry work.

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