From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019 - iopscience.iop.org
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 …

Quantum phases driven by strong correlations

S Paschen, Q Si - Nature Reviews Physics, 2021 - nature.com
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 …

Magnetic topological quantum chemistry

L Elcoro, BJ Wieder, Z Song, Y Xu, B Bradlyn… - Nature …, 2021 - nature.com
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 …

All topological bands of all nonmagnetic stoichiometric materials

MG Vergniory, BJ Wieder, L Elcoro, SSP Parkin… - Science, 2022 - science.org
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 …

High-throughput calculations of magnetic topological materials

Y Xu, L Elcoro, ZD Song, BJ Wieder, MG Vergniory… - Nature, 2020 - nature.com
The discoveries of intrinsically magnetic topological materials, including semimetals with a
large anomalous Hall effect and axion insulators,–, have directed fundamental research in …

Quantization of fractional corner charge in -symmetric higher-order topological crystalline insulators

WA Benalcazar, T Li, TL Hughes - Physical Review B, 2019 - APS
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 …

Higher-order topology in bismuth

F Schindler, Z Wang, MG Vergniory, AM Cook… - Nature physics, 2018 - nature.com
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 …

Higher-Order Topology, Monopole Nodal Lines, and the Origin of Large Fermi Arcs in Transition Metal Dichalcogenides ()

Z Wang, BJ Wieder, J Li, B Yan, BA Bernevig - Physical review letters, 2019 - APS
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 discovery from crystal symmetry

BJ Wieder, B Bradlyn, J Cano, Z Wang… - Nature Reviews …, 2022 - nature.com
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 …

Irvsp: To obtain irreducible representations of electronic states in the VASP

J Gao, Q Wu, C Persson, Z Wang - Computer Physics Communications, 2021 - Elsevier
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 …