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20112024
most citedPseudopotentials for high-throughput DFT calculations

1.7k citations · 4.4k across the 36 of their papers we have counts for

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Showing 2022Show all

5 papers · 1 filter

cond-mat.str-el2022★ 10 cited

Ring-Exchange Interaction Effects on Magnons in Dirac Magnet CoTiO

Yufei Li, Thuc T. Mai, M. Karaki +20

The magnetic interactions that determine magnetic order and magnon energies typically involve only two spins. While rare, multi-spin interactions can also appear in quantum magnets…

cond-mat.supr-con2022★ 68 cited

High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors

Daniel Wines, Kamal Choudhary, Adam J. Biacchi +2

High-throughput density functional theory (DFT) calculations allow for a systematic search for conventional superconductors. With the recent interest in two-dimensional (2D) superc…

cond-mat.mtrl-sci2022★ 2 cited

On the Role of Defects in the Electronic Structure of MnBiSbTe

Daniel Nevola, Kevin F. Garrity, Nader Zaki +4

Elemental substitution is a proven method of Fermi level tuning in topological insulators, which is needed for device applications. Through static and time resolved photoemission,…

cond-mat.supr-con2022★ 78 cited

Designing High-Tc Superconductors with BCS-inspired Screening, Density Functional Theory and Deep-learning

Kamal Choudhary, Kevin Garrity

We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Deb…

cond-mat.mtrl-sci2022

Topological Phases of Mn (A=Bi, Sb; X = Se, Te) under Magnetic Field

Sugata Chowdhury, Kevin F. Garrity, Francesca Tavazza

The concept of electronic topology and the associated topological protection brings excellent opportunities for developing next-generation devices. Ideally, magnetic topological ma…