Re:The Machine That Builds Itself: The Strengths of the Lisp...
by wdkrnls on Monday July 02, 2018 @09:13PM
(#17446721)
I was thinking about:
Synthetic chemistry language MC search language (which does use GAMESS under the hood): https://github.com/drmeister/cando
And this Mathematica plugin: http://iopscience.iop.org/article/10.1088/1742-6596/698/1/01...
On the other hand, linear algebra or “quantum mechanics” (not sure what exactly you mean in computational context) do not require DSL. For example, at least in computational chemistry and fluid dynamics things are very much FORTRAN (or C/++) under the hood (see Gaussian, GAMESS). I believe most of the linear algebra is already available for use through higher level APIs/language bindings (see BLAS/Atlas). I am not sure why one may want to learn a programming language for synthetic chemistry unless we have futuristic robo labs doing the grunt work. Perhaps I misunderstood your comment?