The Abinitproject: Impact, environment and recent developments

Xavier Gonze, Bernard Amadon, Gabriel Antonius, +50

Computer Physics Communications

EngineeringEnvironmental Impact AssessmentIso Management StandardRecent DevelopmentsEarth Science +1

ABINIT: Overview and focus on selected capabilities

A. Romero, Douglas C. Allan, Bernard Amadon, +40

The Journal of Chemical Physics

Transparent conducting materials discovery using high-throughput computing

Guillaume Brunin, Francesco Ricci, Viet-Anh Ha, +2

npj Computational Materials

Materials EngineeringMaterials ScienceEngineeringPerovskite Solar CellNew Tcms +11

Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids

Guillaume Brunin, Henrique Miranda, Matteo Giantomassi, +6

Physical Review Letters

Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles

Guillaume Brunin, Henrique Miranda, Matteo Giantomassi, +6

Physical review. B./Physical review. B

SemiconductorsQuantum ScienceElectrical EngineeringPhonon-limited Electron MobilityEngineering +13

High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers

Diana Dahliah, Guillaume Brunin, Janine George, +3

Energy & Environmental Science

Electrical EngineeringEngineeringEnergy EfficiencySolar PowerHigh-throughput Computational Search +11

Assessing the quality of relaxation-time approximations with fully automated computations of phonon-limited mobilities

Romain Claes, Guillaume Brunin, Matteo Giantomassi, +2

Physical review. B./Physical review. B

Numerical AnalysisRelaxation ProcessEngineeringAutomatic WorkflowComputational Chemistry +19

MgSiP₂: An Infrared Nonlinear Optical Crystal with a Large Non‐Resonant Phase‐Matchable Second Harmonic Coefficient and High Laser Damage Threshold

Jingyang He, Yingdong Guan, Victor Trinquet, +11

Advanced Optical Materials

Optical MaterialsEngineeringLaser ScienceNonlinear OpticsCrystal Growth Technology +17

High-performance transparent conducting oxides through small-polaron transport

Guillaume Brunin, Gian‐Marco Rignanese, Geoffroy Hautier

Physical Review Materials

Electrical EngineeringEngineeringPhysicsNanoelectronicsOxide Electronics +9

Second-harmonic generation tensors from high-throughput density-functional perturbation theory

Victor Trinquet, Francesco Naccarato, Guillaume Brunin, +4

Scientific Data