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Demonic_angel

Generic programming question

5 posts in this topic

Well, this is a bit embarrassing but: I haven't done anything more than maintenance work on computers for the past four years but now need to get back into them. My plan is to go into physical chemistry for which computer programming (and computers in general)would be extremely beneficial. I need a language (or the smallest number of languages) to learn that would allow me to perform computational analysis, animations, etc. I have experience in multiple languages but nothing in depth. (due to my 4 year layoff).

Anyway, some animations I will need to be able to do (for research presentations and the like) can be found here

Computation example would be running a simulation of gas particles in a closed container and measure the frequency of collision. (and cal based math which I can use maple or something similar)

I was thinking C++ and java would be enough to cover my bases but would like others input and opinions.

Thanks

Demonic_angel

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Well, this is a bit embarrassing but: I haven't done anything more than maintenance work on computers for the past four years but now need to get back into them. My plan is to go into physical chemistry for which computer programming (and computers in general)would be extremely beneficial. I need a language (or the smallest number of languages) to learn that would allow me to perform computational analysis, animations, etc. I have experience in multiple languages but nothing in depth. (due to my 4 year layoff).

Anyway, some animations I will need to be able to do (for research presentations and the like) can be found here

Computation example would be running a simulation of gas particles in a closed container and measure the frequency of collision. (and cal based math which I can use maple or something similar)

I was thinking C++ and java would be enough to cover my bases but would like others input and opinions.

Thanks

Demonic_angel

I would say C++ and CUDA... look into cuda... for chemistry cuda could come in real handy (if you have the hardware :) )

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Cuda looks pretty good but I would probably run into a lot of hardware problems as this would have to run on multiple computers.

I have been reading a little about openGL (still reading) and think that may be the way to go. Thanks for the CUDA suggestion. I will look more into it.

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eh, it might be a better use of time to learn to use chemistry-related tools. i know there's matlab for engineering tasks, maple/mathematica/R for math, and many other simulators for physics and engineering purposes, i would assume there's something you can use for chemistry that would have some sort of scripting ability like those other programs. then you can do the chemistry things you have to with software designed for it without having to deal with the programming overhead of doing the equivalent with c++/java/CUDA/OpenGl/etc.

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