AIMPRO

Abstract

AIMPRO is "a modelling technique for calculating the structural, electrical, optical and mechanical properties of molecules. Techniques such as AIMPRO are used to study Defect Engineering, which relates to the use of quantum-chemical methods to analyse dopants and other defects in crystalline materials to predict their optical, electronic and other properties." (from http://www.ncl.ac.uk/eee/research/groups/etm/etm-comp.htm)