Computational Materials Design Research Group
Welcome to the Computational Materials Design Research Group of the Physics Department. Information about our group can be found in this website.
About Our Group
The CMDRG or the Computational Materials Design Research Group employs computational tools to predict and elucidate the properties and behavior of materials by theoretical modeling or computer simulation from a fundamental, ab initio perspective. Our group consists of faculties and students from De La Salle University and collaborators from Osaka University
Our current research focuses on the fundamental science in the physical and chemical processes in nanomaterials growth, unique properties, fabrication of novel devices, and their unique applications in energy science and biomedical science. Our research is in the following directions:
- Understanding of hydrogen surface and interface interactions
- Realization of the hydrogen based economy
- Integration of nanosystems with biological science
- Materials design for emotion detection devices
- Designing nanomaterials for electrical and magnetic devices, gas sensors and alternative sources of energy.