290 citations · 1.1k across the 48 of their papers we have counts for
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A Combined First Principles Study of the Structural, Magnetic, and Phonon Properties of Monolayer CrI
Daniel Staros, Guoxiang Hu, Juha Tiihonen +6
The first magnetic 2D material discovered, monolayer (ML) CrI, is particularly fascinating due to its ground state ferromagnetism. Yet, because monolayer materials are difficul…
Towards Quantum Monte Carlo Forces on Heavier Ions: Scaling Properties
Juha Tiihonen, Raymond C. Clay, Jaron T. Krogel
Quantum Monte Carlo (QMC) forces have been studied extensively in recent decades because of their importance with spectroscopic observables and geometry optimization. Here we bench…
Origin of Metal-Insulator Transitions in Correlated Perovskite Metals
M. Chandler Bennett, Guoxiang Hu, Guangming Wang +4
The mechanisms that drive metal-to-insulator transitions (MIT) in correlated solids are not fully understood. For example, the perovskite (PV) SrCoO3 is a FM metal while the oxygen…