161 citations · 1.1k across the 25 of their papers we have counts for
28 papers
Complex materials engineering via Provenance Action Graphs: potential, structure and demonstration
Yevgeny Rakita, Paul Todd, James R. Neilson +1
This work discusses and tests the potential of reaction graphs for material synthesis, in which events consist of reaction steps (actions) and their outputs (observations). The imp…
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…
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…
Bulk and film synthesis pathways to ternary magnesium tungsten nitrides
Christopher L. Rom, Rebecca W. Smaha, Callan A. Knebel +4
Bulk solid state synthesis of nitride materials usually leads to thermodynamically stable, cation-ordered crystal structures, whereas thin film synthesis tends to favor disordered,…
Modernist Materials Synthesis: Finding Thermodynamic Shortcuts with Hyperdimensional Chemistry
James R Neilson, Matthew J McDermott, Kristin A Persson
Synthesis remains a challenge for advancing materials science. A key focus of this challenge is how to enable selective synthesis, particularly as it pertains to metastable materia…
Combinatorial synthesis of cation-disordered manganese tin nitride MnSnN thin films with magnetic and semiconducting properties
Christopher L. Rom, Rebecca W. Smaha, Celeste L. Melamed +11
Magnetic semiconductors may soon improve the energy efficiency of computers, but materials exhibiting these dual properties remain underexplored. Here, we report the computational…