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

Transport coefficients of layered TiS3
Robert Biele, Roberto D'Agosta
6, 014004 (2022)
Strongly Anisotropic Strain-Tunability of Excitons in Exfoliated ZrSe3
Hao Li, Gabriel Sanchez-Santolino, Sergio Puebla, Riccardo Frisenda, Abdullah M. Al-Enizi, Ayman Nafady, Roberto D'Agosta, Andres Castellanos-Gomez
Advanced Materials 2103571 (2021)