Recent progress of the computational 2D materials database (C2DB)
Abstract The Computational 2D Materials Database (C2DB) is a highly curated open
database organising a wealth of computed properties for more than 4000 atomically thin two …
database organising a wealth of computed properties for more than 4000 atomically thin two …
Topological materials discovery from crystal symmetry
Topological materials discovery has evolved at a rapid pace over the past 15 years following
the identification of the first nonmagnetic topological insulators (TIs), topological crystalline …
the identification of the first nonmagnetic topological insulators (TIs), topological crystalline …
All topological bands of all nonmagnetic stoichiometric materials
Topological quantum chemistry and symmetry-based indicators have facilitated large-scale
searches for materials with topological properties at the Fermi energy (EF). We report the …
searches for materials with topological properties at the Fermi energy (EF). We report the …
Engineering corner states from two-dimensional topological insulators
We theoretically demonstrate that the second-order topological insulator with robust corner
states can be realized in two-dimensional Z 2 topological insulators by applying an in-plane …
states can be realized in two-dimensional Z 2 topological insulators by applying an in-plane …
Big data in a nano world: a review on computational, data-driven design of nanomaterials structures, properties, and synthesis
The recent rise of computational, data-driven research has significant potential to accelerate
materials discovery. Automated workflows and materials databases are being rapidly …
materials discovery. Automated workflows and materials databases are being rapidly …
Machine learning for materials discovery: Two-dimensional topological insulators
One of the main goals and challenges of materials discovery is to find the best candidates
for each interest property or application. Machine learning rises in this context to efficiently …
for each interest property or application. Machine learning rises in this context to efficiently …
Wannier-function software ecosystem for materials simulations
Over the past two decades, following the early developments on maximally localized
Wannier functions, an ecosystem of electronic-structure simulation techniques and software …
Wannier functions, an ecosystem of electronic-structure simulation techniques and software …
Theoretical prediction of two-dimensional materials, behavior, and properties
Predictive modeling of two-dimensional (2D) materials is at the crossroad of two current
rapidly growing interests: 2D materials per se, massively sought after and explored in …
rapidly growing interests: 2D materials per se, massively sought after and explored in …
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
The Open Databases Integration for Materials Design (OPTIMADE) application
programming interface (API) empowers users with holistic access to a growing federation of …
programming interface (API) empowers users with holistic access to a growing federation of …
Twist-resilient and robust ferroelectric quantum spin Hall insulators driven by van der Waals interactions
A Marrazzo, M Gibertini - npj 2D Materials and Applications, 2022 - nature.com
Quantum spin Hall insulators (QSHI) have been proposed to power several applications,
many of which rely on the possibility to switch on and off the non-trivial topology. Typically …
many of which rely on the possibility to switch on and off the non-trivial topology. Typically …