You are here
Tomas A. Arias
Linking the ab initio quantum mechanical description of materials to the physical behavior of real materials; involving identification of problems where the quantum perspective can make a significant impact, exploitation of theoretical techniques and supercomputer architectures to carry out large scale quantum calculations, and development of new theoretical techniques to link ab initio calculations with phenomena on larger scales. Application areas include mechanical properties of materials, electronic and spectroscopic signatures of extended crystalline defects, properties of nanoscale devices and fundamental processes involved in crystal growth.
- Computational Science and Engineering