From DFT to machine learning: recent approaches to materials science–a review
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …
and complexity of generated data. This massive amount of raw data needs to be stored and …
Quantum phases driven by strong correlations
It has long been thought that strongly correlated systems are adiabatically connected to their
non-interacting counterpart. Recent developments have highlighted the fallacy of this …
non-interacting counterpart. Recent developments have highlighted the fallacy of this …
Magnetic topological quantum chemistry
For over 100 years, the group-theoretic characterization of crystalline solids has provided
the foundational language for diverse problems in physics and chemistry. However, the …
the foundational language for diverse problems in physics and chemistry. However, the …
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 …
High-throughput calculations of magnetic topological materials
The discoveries of intrinsically magnetic topological materials, including semimetals with a
large anomalous Hall effect and axion insulators,–, have directed fundamental research in …
large anomalous Hall effect and axion insulators,–, have directed fundamental research in …
Quantization of fractional corner charge in -symmetric higher-order topological crystalline insulators
In the presence of crystalline symmetries, certain topological insulators present a filling
anomaly: a mismatch between the number of electrons in an energy band and the number of …
anomaly: a mismatch between the number of electrons in an energy band and the number of …
Higher-order topology in bismuth
The mathematical field of topology has become a framework in which to describe the low-
energy electronic structure of crystalline solids. Typical of a bulk insulating three …
energy electronic structure of crystalline solids. Typical of a bulk insulating three …
Higher-Order Topology, Monopole Nodal Lines, and the Origin of Large Fermi Arcs in Transition Metal Dichalcogenides ()
In recent years, transition metal dichalcogenides (TMDs) have garnered great interest as
topological materials. In particular, monolayers of centrosymmetric β-phase TMDs have …
topological materials. In particular, monolayers of centrosymmetric β-phase TMDs have …
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 …
Irvsp: To obtain irreducible representations of electronic states in the VASP
We present an open-source program irvsp, to compute irreducible representations of
electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation …
electronic states for all 230 space groups with an interface to the Vienna ab-initio Simulation …