The role of quantum simulations in exploring materials for energy
Event details
| Date | 02.07.2009 |
| Hour | 11:00 |
| Speaker | Professor Giulia GALLI |
| Location |
PH H3 33 (PHYSIQUE) - 3ème étage
|
| Category | Conferences - Seminars |
Research on materials for efficient and sustainable energy supplies is currently driven by experiments, whose increasing sophistication in manipulating matter at the nanoscale, calls for guidance and interpretation through the use of microscopic theories. Progress of the last decade in materials modeling and simulation indicates that theoretical and computational tools will play an important role not only in guiding and complementing experiments, but also in predicting and ultimately designing novel materials and devices relevant to renewable energy.
In this talk, we will present atomistic and ab-initio calculations of nanostructured materials for thermoelectric and photovoltaic applications. In particular we will focus on the role of surfaces and interfaces at the nanoscale, in assembling, embedding and solvating semiconductor nanoparticles, with the aim of modeling realistic environments directly comparable with experimental conditions. We will also discuss current open challenges in quantum simulations of materials for energy.
Practical information
- General public
- Free
Contact
- Emilie BERNARD - CECAM