The Abinitproject: Impact, environment and recent developments

• Atomate2: modular workflows for materials science

  2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

  43

  citations
• Phonon-mediated unconventional superconductivity in rhombohedral stacked multilayer graphene

  2024 npj Computational Materials article Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  18

  citations
• Chemical Concepts in Solids

  2024 other Chemistry Inorganic Chemistry and Materials Open access

  1

  citations
• divERGe implements various Exact Renormalization Group examples

  2024 SciPost Physics Codebases article Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  19

  citations
• Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *

  2023 Electronic Structure article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Report on 2311.07667v1

  2023 peer-review Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  0

  citations
• divERGe implements various Exact Renormalization Group examples

  2023 arXiv (Cornell University) preprint Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  0

  citations
• Embedded Localized Molecular-Orbital Representations for Periodic Wave Functions

  2023 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies

  10

  citations
• Numerical stability and efficiency of response property calculations in density functional theory

  2023 Letters in Mathematical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  6

  citations
• First-principles Phonon Calculations with Phonopy and Phono3py

  2022 Journal of the Physical Society of Japan article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 1 patent

  1,840

  citations
• Chemical bonding with plane waves

  2022 Elsevier eBooks book-chapter Physics and Astronomy Advanced Chemical Physics Studies

  9

  citations
• Automated Bonding Analysis with Crystal Orbital Hamilton Populations

  2022 ChemPlusChem article Materials Science Machine Learning in Materials Science Open access

  61

  citations
• Raman Spectroscopy as a Key Method to Distinguish the Ferroelectric Orthorhombic Phase in Thin ZrO2‐Based Films

  2022 physica status solidi (RRL) - Rapid Research Letters article Engineering Ferroelectric and Negative Capacitance Devices

  32

  citations
• Common workflows for computing material properties using different quantum engines

  2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access

  40

  citations

14 results