Towards high-throughput ab initio calculations using ABINIT

G Antonius , M Côté , Matteo Giantomassi , Xavier Gonze
6th International ABINIT Developer Workshop

2013
Identification and design principles of low hole effective mass p-type transparent conducting oxides

Gian-Marco Rignanese , Gerbrand Ceder , Geoffroy Hautier , Anna Miglio
PMC

599
2013
Successes and problems of verification and validation: electron-phonon and pseudopotentials comparisons

Gabriel Geadah-Antonius , Gian-Marco Rignanese , Xavier Gonze , Samuel Poncé
Validation and Verification in Electronic-Structure calculations: state of the art and perspective

2012
Finding the lowest electron effective mass oxides through high-throughput computing

Gian-Marco Rignanese , Geoffroy Hautier , Anna Miglio , David Waroquiers
Materials Research Society Fall meeting

2014
Quantum transport in graphene based nanostructures

Gian-Marco Rignanese , Simon M-M Dubois , Jean-Christophe Charlier
14th ETSF Workshop on Electronic Excitations : Ab-initio tools for the characterization of nanostructures

2009
Improvements of STM calculations and kinetic energy density implementation in ABINIT.

Gian-Marco Rignanese , Xavier Gonze , Aurélien Lherbier , Jean-Christophe Charlier
GdR DFT

2009
The fundamental state of poly(ethylene terephthalate) and its interaction with aluminum

Gian-Marco Rignanese , Xavier Gonze , Patrick Bertrand , Youssef Travaly
7th Symposium on Metallized Plastics: Fundamental and Applied Aspects

2001
What chemistries will bring low hole effective mass transparent conducting oxides? A high-throughput computational analysis.

Gian-Marco Rignanese , Gerbrand Ceder , Geoffroy Hautier , Joel Varley
American Chemical Society Spring Meeting

2014
Accelerating materials discovery with ab initio methods through high-throughput and data mining

Gian-Marco Rignanese , Geoffroy Hautier , Anna Miglio , Xavier Gonze
GDR Code Développement Formalisme (CoDFT): Des approches semi-empiriques à la Théorie de la Fonctionnelle de la Densité et au-delà

2013
Identification and design of low hole effective mass p-type transparent conducting oxides through high-throughput computing

Gian-Marco Rignanese , Gerbrand Ceder , Geoffroy Hautier , Joel Varley
Materials Research Society (MRS)

2014
How to design low hole effective mass p-type transparent conducting oxides? A high-throughput computational analysis

Gian-Marco Rignanese , Geoffroy Hautier , Anna Miglio , Xavier Gonze
MRS Spring Meeting

2013
Spin-Transport in Graphene Nanoribbons : the crucial effect of point defects

Gian-Marco Rignanese , Simon M-M Dubois , Jean-Christophe Charlier
Computational Challenges and Tools for nanotubes (CCNT08)

2008
Identification and design of novel p-type Transparent Conducting Oxides through high-throughput computing

Gian-Marco Rignanese , Geoffroy Hautier , Anna Miglio , Xavier Gonze
European Materials Research Society Spring Meeting 2013

2013
Highthroughput computational search for high mobility transparent conducting oxides

Gian-Marco Rignanese , Geoffroy Hautier , J. Varley , Anna Miglio
International conference on Combinatorial Materials Research

2015
Electronic Transport in zigzag Graphene Nanoribbons

Gian-Marco Rignanese , Simon M-M Dubois , Jean-Christophe Charlier
13th ETSF/Nanoquanta Conference - Theoretical Spectroscopy and Quantum Transport

2008
Highthroughput computational search for high mobility p and n-type transparent oxides

Gian-Marco Rignanese , Geoffroy Hautier , J. Varley , Anna Miglio
Materials Research Society Spring meeting

2015
High-throughput ab initio computations for materials discovery and the Materials project Database

Gian-Marco Rignanese , Geoffroy Hautier , Anna Miglio , Xavier Gonze
European Theoretical Spectroscopy Facility (ETSF) workshop

2012
Finding low hole effective mass p-type Transparent Conducting Oxides through high-throughput computing

Gian-Marco Rignanese , Geoffroy Hautier , Anna Miglio , Xavier Gonze
European Congress and Exhibition on Advanced Materials and Processes

2013
Identification of a New High Mobility P-Type Transparent Perovskite Oxide through High-Throughput Computational Screening

J. Suntivich , Gian-Marco Rignanese , Geoffroy Hautier , Anna Miglio
Materials Research Society (MRS) Fall

2015