Research Explorer

Project

Computational investigation of nanomaterials for renewable energy applications
Code
01W07317
Duration
01 October 2017 → 31 July 2021
Funding
Regional and community funding: Special Research Fund
Research disciplines
  • Natural sciences
    • Classical physics
    • Elementary particle and high energy physics
    • Other physical sciences
    • Inorganic chemistry
    • Organic chemistry
    • Theoretical and computational chemistry
    • Other chemical sciences
Keywords
molecular modeling molecular dynamics energy production and storage
 
Project description
 

The aim of this project is the development of advanced computational models that enable affordable yet accurate quantum mechanical calculations to be performed in nanomaterials which constitute promising candidates for hydrogen production and storage. The insight provided by the computational optimization of the target nanostructures may be used in the design of more
efficient nanodevices for energy storage and conversion.