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Project
Computational investigation of nanomaterials for renewable energy applications
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.
Date:1 Oct 2017 → 31 Jul 2021
Keywords:molecular modeling, energy production and storage, molecular dynamics
Disciplines:Other chemical sciences, Organic chemistry, Theoretical and computational chemistry, Inorganic chemistry, Classical physics, Elementary particle and high energy physics, Other physical sciences