Search for dissertations about: "CLASSICAL TRAJECTORY COMPUTATIONS"

Found 1 swedish dissertation containing the words CLASSICAL TRAJECTORY COMPUTATIONS.

2. 1. Applications of Molecular Dynamics in Atmospheric and Solution Chemistry

   Author : Xin Li; Hans Ågren; Ari Laaksonen; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi;

   Abstract : This thesis focuses on the applications of molecular dynamics simulation techniques in the fields of solution chemistry and atmospheric chemistry. The work behind the thesis takes account of the fast development of computer hardware, which has made computationally intensive simulations become more and more popular in disciplines like pharmacy, biology and materials science. READ MORE