Browsing Code Catalog by Subject "modeling"

Now showing items 1-3 of 3

    • ADF - molecular modeling suite 

      Scientific Computing & Modelling
      Model molecules, surfaces and bulk with fast & accurate DFT or semi-empirical (MOPAC, DFTB) methods and study the reactivity in large, complex systems (ReaxFF) with the ADF modeling suite. A single integrated GUI ensures ...

    • AIMPRO 

      Patrick Briddon Patrick.Briddon@ncl.ac.uk
      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 ...

    • BIOVIA Materials Studio 

      BIOVIA - Dassault Systèmes
      The Materials Studio modeling environment supports predictions and investigations of materials' structure-property relationships. The modeling environment includes solution methods for quantum, atomistic, mesoscale, and ...