1.7k citations · 4.4k across the 36 of their papers we have counts for
6 papers · 1 filter
Magnon-phonon hybridization in quasi-2D antiferromagnet MnPSe
Thuc T. Mai, K. F. Garrity, A. McCreary +5
Magnetic excitations in van der Waals (vdW) materials, especially in the two-dimensional (2D) limit, are an exciting research topic from both the fundamental and applied perspectiv…
Database of Wannier Tight-binding Hamiltonians using High-throughput Density Functional Theory
Kevin F. Garrity, Kamal Choudhary
We develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We apply this workflow to 17…
The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design
Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid +25
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional the…
Efficient Computational Design of 2D van der Waals Heterostructures: Band-Alignment, Lattice-Mismatch, Web-app Generation and Machine-learning
Kamal Choudhary, Kevin F Garrity, Steven T. Hartman +2
We develop a computational database, web-apps, and machine-learning (ML) models to accelerate the design and discovery of two-dimensional (2D)-heterostructures. Using density funct…
Topological surface states of MnBiTe at finite temperatures and at domain walls
Kevin F. Garrity, Sugata Chowdhury, Francesca M. Tavazza
MnBiTe has recently been the subject of intensive study, due to the prediction of axion insulator, Weyl semimetal, and quantum anomalous Hall insulator phases, depending on…
Computational Search for Magnetic and Non-magnetic 2D Topological Materials using Unified Spin-orbit Spillage Screening
Kamal Choudhary, Kevin F. Garrity, Jie Jiang +2
Two-dimensional topological materials (TMs) have a variety of properties that make them attractive for applications including spintronics and quantum computation. However, there ar…