Research Directions

Methods Development

The discovery of new physical phenomena, the modeling of unconventional systems, and the implementation of innovative approximations require the development of novel methods and the exploration of diverse theoretical frameworks. Our 'methods development' research focuses on creating such tools to investigate the electronic structure and dynamics of molecules, nanostructures, and materials. By combining quantum nonequilibrium Green’s functions, many-body perturbation theory, and stochastic techniques, we study ground and excited states, quasiparticle dynamics, charge and spin transport, and quantum control—all from first-principles perspectives.

Selected Publications

Nano-Electronics

Our 'nano-electronics' research aims to uncover the fundamental quantum-mechanical effects driving charge and spin transport in molecules and nanostructures, while also proposing applications in nanoelectronics and spectroscopy. Molecular devices, such as molecular wires, are of particular interest as they provide platforms for testing and understanding the behavior of open quantum systems under nonequilibrium conditions. We tackle these research challenges from a multidisciplinary perspective, combining tools from physics, chemistry, and materials sciences.

Selected Publications

Nanostructures & Materials

We study the fundamental electronic properties of materials and nanostructures and their potential applications. This includes the investigation of their electronic structure, quasiparticle dynamics, and interactions with electromagnetic fields. We focus on developing strategies to control these properties and contrast our computations with experimental observations.

Selected Publications