Dr. Yann Pouillon

Post-doc Personal Investigador Contratado

Email

yann [dot] pouillon [at] ehu [dot] es

Country

France

Phone

(+34) 943 01 83 94

Fax

(+34) 943 01 83 90

Homepage

http://quantiquement-votre.eu/

Research Information

Research Overview

Molecular motors

Structural, dynamical and optical properties of molecular assemblies and nanostructures for the creation of nanoscale mechanical devices.

Biological molecules

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.

Electronic correlations

Implementation and comparison of available methods in Abinit to access van der Waals interactions from Density Functional Theory.

Modelling of ErSc₂N@C80.

Software

Coordinator of the ETSF Software activities.

Developer and maintainer of Abinit.

Initiator, coordinator, and packager, for the Debian Science Nanoscale Physics metapackages:

• http://blends.alioth.debian.org/science/tasks/nanoscale-physics
• http://blends.alioth.debian.org/science/tasks/nanoscale-physics-dev

 

Formerly: convenor of the ETSF e-I3 Implementation Team 8, aka "Software Portability and Interoperability".

Training

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.

More information

F-7168-2011

Related Research Areas

• Biophysics
• Electronic and Thermal transport
• Foundations of Time-dependent Density Functional Theory
• Nanostructures and nanotubes. Nanocapilarity
• Scientific computing

Latest publications

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)

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