38 citations · 39 across the 3 of their papers we have counts for
3 papers
Vibrational and Electronic Properties of Np2O5 from Experimental Spectroscopy and First Principles Calculations
Binod K Rai, Shuxiang Zhou, Benjamin R. Heiner +7
High-valence actinide oxides are critical to understanding the behavior of 5f-electrons, yet their structural and electronic properties remain poorly understood due to challenges i…
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…