Prof. Roberto D'Agosta

Staff Ikerbasque

Roberto D'Agosta's picture
roberto [dot] dagosta [at] ehu [dot] es
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
Transport coefficients of layered TiS3
Robert Biele, Roberto D'Agosta
6, 014004 (2022)