Gian-Marco Rignanese
Materials Chemistry · 2002–2018
A researcher in the Science corpus: 12 papers; trusts 2 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Materials Chemistry — 141 citations into it
- Atomic and Molecular Physics, and Optics — 100 citations into it
- Spectroscopy — 9 citations into it
- Organic Chemistry — 6 citations into it
Whom Gian-Marco Rignanese trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Papers from Gian-Marco Rignanese's perspective
Ordered by how strongly the researchers Gian-Marco Rignanese trusts endorse each paper. Same corpus, a different order for every researcher.
- Self-Consistent Equations Including Exchange and Correlation Effects
- Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
- Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
- Electronic Structure: Basic Theory and Practical Methods
- Pseudopotentials for high-throughput DFT calculations
- Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene : Retaining an effective primitive cell band structure by band unfolding
- Accuracy of Generalized Gradient Approximation functionals for density functional perturbation theory calculations
- Ab initio molecular simulations with numeric atom-centered orbitals
- An object-oriented scripting interface to a legacy electronic structure code (Comput. Sci. Eng.)
- Full-Potential Electronic Structure Method
Their papers
- Reproducibility in density functional theory calculations of solids (2016) — 1,430 citations
- How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis (2014) — 155 citations
- ABINIT: First-principles approach to material and nanosystem properties (2009) — 2,308 citations
- First-principles computation of material properties: the ABINIT software project (2002) — 2,459 citations
- FireWorks: a dynamic workflow system designed for high‐throughput applications (2015) — 539 citations
- Recent developments in the ABINIT software package (2016) — 786 citations
- The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table (2017) — 1,994 citations
- An Unlikely Route to Low Lattice Thermal Conductivity: Small Atoms in a Simple Layered Structure (2018) — 149 citations
- Statistical Analysis of Coordination Environments in Oxides (2017) — 165 citations
- High-Mobility Bismuth-based Transparent p-Type Oxide from High-Throughput Material Screening (2014) — 134 citations
- Accuracy of Generalized Gradient Approximation functionals for density functional perturbation theory calculations (2013) — 165 citations
- Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides (2008) — 278 citations