Type: 
MS Defense
Date-Time: 
Monday, June 4, 2012 - 11:00
Location: 
Weniger 304
Event Speaker: 
Zhiyuan Zhang
Local Contact: 
NULL
Abstract: 

We develop a code generator for classical density functional theory in Haskell. It produces C++ code that runs on the deft library and LaTeX documentation for implementing functionals in DFT. The user is able to use a set of interface functions to define the functional in a Haskell file. Then the code generator automatically produces the C++ code and optimizes it with respect to memory usage and CPU time. This program provides an efficient method to implement functionals in a compact representation which is easy to read and modify. This allows researchers to accelerate their research process by saving time both on developing new functionals and running the computations.