38 citations · 75 across the 11 of their papers we have counts for
11 papers
The ab initio amorphous materials database: Empowering machine learning to decode diffusivity
Hui Zheng, Eric Sivonxay, Max Gallant +4
Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-stat…
Mechanistically-guided materials chemistry: synthesis of new ternary nitrides, CaZrN and CaHfN
Christopher L. Rom, Andrew Novick, Matthew J. McDermott +13
Recent computational studies have predicted many new ternary nitrides, revealing synthetic opportunities in this underexplored phase space. However, synthesizing new ternary nitrid…
SpinPSO: An agent-based optimization workflow for identifying global noncollinear magnetic ground-states from first-principles
Guy C. Moore, Matthew K. Horton, Kristin A. Persson
We propose and implement a novel hybrid meta-heuristic optimization algorithm for the identification of non-collinear global ground-states in magnetic systems. The inputs to this o…
Magnetism and magnetocaloric properties of CoMnCrO
Joya A. Cooley, Gregor Dairaghi, Guy C. Moore +4
CoMnCrO crystallizes as a normal spinel in the cubic space group, and the end members have been reported to display a region of collinear fer…
Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials
Matthew J. McDermott, Brennan C. McBride, Corlyn Regier +11
Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedure…
Extracting Structured Seed-Mediated Gold Nanorod Growth Procedures from Literature with GPT-3
Nicholas Walker, John Dagdelen, Kevin Cruse +7
Although gold nanorods have been the subject of much research, the pathways for controlling their shape and thereby their optical properties remain largely heuristically understood…