Reddit reviews Computational Physics (2nd Edition)
We found 3 Reddit comments about Computational Physics (2nd Edition). Here are the top ones, ranked by their Reddit score.
Reddit reviews Computational Physics (2nd Edition)We found 3 Reddit comments about Computational Physics (2nd Edition). Here are the top ones, ranked by their Reddit score.
>A typical use case would be to show the interractions between water molecules, or the solvation of amino acids. Not to compute the bond angles in organoruthenium catalysts :)
A teaching tool would be interesting. The GUI would obviously be the most important part of such an application however. Look at Avogadro for a FOSS MD platform that is closest to your current target.
> I don't want to brag, but I did it all myself. No papers. SENPAI started as a project of mine to study Newtonian mechanics two years ago (I'm still an undergrad). I hadn't heard of the N-body problem or anything yet.
Good for you, that's quite the feat. I would strongly recommend reading Giordano and Nakanishi, specifically the chapter on MD. It's a good undergraduate introduction to computational science (not just physics). Looking at my copy there are 15 good references, one in particular is Heermann's Computer simulation methods in theoretical physics. Chase the references and you can get a flavour for the topic at a research level. Your school will very likely have a copy of both the books I mentioned.
> That... is true, relocating particles is probably very ressource-intensive (especially when computing bond angles...). I'll look into it, it definitely is an easy way to speed things up.
I'd safely assume it's ~90%+ of your computational time. Look into perf for profiling your program to find the hot code. A good rule for optimization is measure a dozen times optimize once, then measure again.
Keep us updated. Good luck with everything!
I used this during my undergrad:
https://www.amazon.com/Computational-Physics-2nd-Nicholas-Giordano/dp/0131469908/
There's also this, that seems highly reviewed:
https://www.amazon.com/Computational-Physics-Mark-Newman/dp/1480145513/
The Giordano book probably requires a basic physics/math background (caluclus, linear algebra, classical mechanics, electricity/magnetism, basic quantum). Dunno about the other.
Lots of computational physics books are done in pseudocode to appeal to a wide audience of coders.
My favorite so far is Nicholas Giordano's Computational Physics 2ed. If you look hard enough, you'll be able to find the 2ed for free as a PDF.