Prof. Roberto D'Agosta
- dagosta [at] physics [dot] ucsd [dot] edu
- Current position
- Ikerbasque Research Associate
- Research Overview
Foundations of Time Dependent Current-Density Functional Theory.
The theory, being non-local in time, admits the possibility of memory effects, that could drive, as happens in real systems, to the relaxation of the Kohn-Sham towards a stationary state. The current density is usually a important indicator of this relaxation process.
Transport through molecular devices has reached a peak of general interest, due to its possible applications. Many different techniques need to be used in this case to arrive at reliable time-dependent functionals that can be used in the TD-CDFT to investigate the dynamics of the devices. Other approaches can at the same time enlarge and refine our physical intuition driving us towards more efficient functionals.
Related Research Areas
- Towards the next generation of Thermoelectric Materials: tailoring electronic and phononic properties of nanomaterials
- Olga Caballero-Calero, Roberto D'Agosta
Journal Of The Electrochemical Society accepted, (2017)
- Electronics and optoelectronics of quasi-one dimensional layered transition metal trichalcogenides
- Joshua O. Island, Aday J. Molina-Mendoza, Mariam Barawi, Robert Biele, Eduardo Flores, Jose M. Clamagirand, Jose R. Ares, Carlos Sanchez, Herre S.J. van der Zant, Roberto D'Agosta, Isabel J. Ferrer, Andres Castellanos-Gomez