David Waroquiers

Recent developments in the ABINIT software package

Xavier Gonze, F. Jollet, Flavio Abreu Araujo et al. · Computer Physics Communications · 2016 · 851 citations

Software Maintenance, Software Repository, Engineering +10

Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States

Daniel Bilc, Geoffroy Hautier, David Waroquiers et al. · Physical Review Letters · 2015 · 217 citations · Full text

Statistical Analysis of Coordination Environments in Oxides

David Waroquiers, Xavier Gonze, Gian‐Marco Rignanese et al. · Chemistry of Materials · 2017 · 196 citations

Materials Science, Crystal Structure, Chemical Kinetics +13

How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis

Geoffroy Hautier, Anna Miglio, David Waroquiers et al. · Chemistry of Materials · 2014 · 158 citations

Engineering, Low Effective Mass, Solid-state Chemistry +20

Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory

David Waroquiers, Aurélien Lherbier, Anna Miglio et al. · Physical Review B · 2013 · 133 citations · Full text

Engineering, Computational Chemistry, Electronic Structure +17