3 papers
cond-mat.mtrl-sci2020
Methods to Accelerate High-Throughput Screening of Atomic Qubit Candidates in van der Waals Materials
R. Kuate Defo, H. Nguyen, M. J. H. Ku +1
The discovery of atom-like spin emitters associated with defects in two-dimensional (2D) wide-bandgap (WBG) semiconductors presents new opportunities for highly tunable and versati…
physics.chem-ph2019
Predicting outcomes of catalytic reactions using machine learning
Trevor David Rhone, Robert Hoyt, Christopher R. O'Connor +4
Predicting the outcome of a chemical reaction using efficient computational models can be used to develop high-throughput screening techniques. This can significantly reduce the nu…
cond-mat.mtrl-sci2018
Data-driven studies of magnetic two-dimensional materials
Trevor David Rhone, Wei Chen, Shaan Desai +2
We use a data-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered materials. We investigate monolayers of the form ABX, ba…