Search filters

List of works by Yann Pouillon

A density functional study of CuO2 molecules: structural stability, bonding and temperature effects

article published in 2000

A density functional study of copper hydroxonitrate: size effects and spin density topology

ABINIT: First-principles approach to material and nanosystem properties

article by Xavier Gonze et al published December 2009 in Computer Physics Communications

Carbon nanotube based sensors and fluctuation enhanced sensing

article

Gas Sensing and Thermal Transport Through Carbon-Nanotube-Based Nanodevices

INCREASING CHEMICAL SELECTIVITY OF CARBON NANOTUBE-BASED SENSORS BY FLUCTUATION-ENHANCED SENSING

article

Identifying structural building blocks in CuO 6 clusters: CuO 2 complexes vs CuO 3 ozonides

Mechanically interlocked single-wall carbon nanotubes

scientific article published on 11 April 2014

Neutral and anionic CuO2: an ab inito study

Organizing Software Growth and Distributed Development: The Case of Abinit

article

Recent developments in the ABINIT software package

Sharing electronic structure and crystallographic data with ETSF_IO

Specification of an extensible and portable file format for electronic structure and crystallographic data

Structural and electronic properties of small CuOm clusters

Structural properties of CuO4 and CuO5 clusters: A density functional study

The CECAM electronic structure library and the modular software development paradigm

scientific article published on 01 July 2020

The ETSF: An e-Infrastructure That Bridges Simulations and Experiments

The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties

scientific article

Wannier functions approach to van der Waals interactions in ABINIT

Paulina is supported by:

About Paulina

Help