186 citations · 1k across the 18 of their papers we have counts for
3 papers · 1 filter
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…
Systematic DFT+U and Quantum Monte Carlo benchmark of magnetic two-dimensional (2D) CrX (X = I, Br, Cl, F)
Daniel Wines, Kamal Choudhary, Francesca Tavazza
The search for two-dimensional (2D) magnetic materials has attracted a great deal of attention because of the experimental synthesis of 2D CrI, which has a measured Curie tempe…
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…