One-Dimensional Moiré Physics and Chemistry in Heterostrained Bilayer Graphene

Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials’ Surfaces

“…The generalization including both extensivity and transferability of MLIPs allows for simulations and understanding of ever larger and complex systems at an efficient computational cost. This enables the study of nanoscale and quantum materials systems such as 2D materials and their twisted interfaces, as well as more general global challenges involving molecules and materials, such as in energy, health, and the environment. − As these models become more used, understanding their application limits and broadening them is of great importance to accelerate materials science research and applications of these models to different systems and use cases.…”

Carbon Kagome nanotubes—quasi-one-dimensional nanostructures with flat bands

“…ref. 6 and 42–44) on quasi-two-dimensional systems and heterostructures, featuring one-dimensional flat bands, or flat bands along specific directions of a two-dimensional Brillouin zone. In contrast, the systems studied here are all elemental quasi-one-dimensional (1D) nanostructures that feature flat bands throughout the entirety of their (one-dimensional) Brillouin zone.…”