Dr. Yann Pouillon
Post-doc Personal Investigador Contratado
- yann [dot] pouillon [at] ehu [dot] es
- (+34) 943 01 83 94
- (+34) 943 01 83 90
- Research Overview
Structural, dynamical and optical properties of molecular assemblies and nanostructures for the creation of nanoscale mechanical devices.
Structural and optical transitions of biliverdin, a photo-sensitive protein.
Nanotubes & nanochannels
Dynamical and transport properties of functionalized carbon nanotubes for the Self-Adjusting Nano-Electronic Sensors (SANES) project, which aims at building matchbox-sized sensing devices able to measure several environmental parameters (pressure, temperature, toxic gas concentrations) simultaneously.
Electronic and optical properties of confined water.
Implementation and comparison of available methods in Abinit to access van der Waals interactions from Density Functional Theory.
Modelling of ErSc2N@C80.
Coordinator of the ETSF Software activities.
Developer and maintainer of Abinit.
Initiator, coordinator, and packager, for the Debian Science Nanoscale Physics metapackages:
Formerly: convenor of the ETSF e-I3 Implementation Team 8, aka "Software Portability and Interoperability".
Training of PhD students in the framework of the ETSF Training Projects.
On-request computer lessons, for the members of the Nano-Bio Spectroscopy Group.
Organizer and lecturer for the biennial CECAM Tutorial: Basic techniques and tools for development and maintenance of atomic-scale software.
Related Research Areas
- Wannier functions approach to van der Waals interactions in ABINIT
- Espejo, C., Rangel, T., Pouillon, Y., Romero, A.H., Gonze, X.
Computer Physics Communications 183, 480 - 485 (2012)
- The ETSF: An e-Infrastructure That Bridges Simulations and Experiments
- Matsuura, Anne, Thrupp, Nicola, Gonze, Xavier, Pouillon, Yann, Bruant, Gaelle, Onida, Giovanni
Computing In Science and Engineering 14, 22 - 32 (2012)