Sciencemadness Discussion Board

Inorganic/Basic Chemistry Programming Applications

The Volatile Chemist - 26-3-2014 at 15:15

I know a pretty good deal of programming skills that I would like to implement into programming, but I don't know of any basic/inorganic chemistry programming applications. Suggestions? Only suggest if you can explain the technique or algorithm or if it's a simple application. (Or if you can point to an article explaining it). Thanks!
Nathan

yiberkit - 17-7-2014 at 05:21

The most obvious things are Molecular Dynamics simulations and Computational Chemistry. But also Data Processing becomes more and more important (e.g. modern NMR would be impossible without the fast cooley-turkey algorithm.)

The Volatile Chemist - 23-7-2014 at 05:43

Quote: Originally posted by yiberkit  
The most obvious things are Molecular Dynamics simulations and Computational Chemistry. But also Data Processing becomes more and more important (e.g. modern NMR would be impossible without the fast cooley-turkey algorithm.)

Thanks! The last thing you mentioned (about NMR) has me interested...