Prof. Roberto D'Agosta
Staff Ikerbasque
- roberto [dot] dagosta [at] ehu [dot] es
- Country
- Italy
- Phone
- +34-943-015803
- Current position
- Ikerbasque Research Professor
Research Information
- 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.
Molecular Transport
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
Latest publications
- Thermoelectric efficiency in multi-terminal quantum thermal machines with steady-state density functional theory
- Nahual Sobrino, Roberto D'Agosta, Stefan Kurth
(2023) - Transport coefficients of layered TiS3
- Robert Biele, Roberto D'Agosta
6, 014004 (2022)