290 citations · 502 across the 5 of their papers we have counts for
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Diels-Alder Reactions in Water are Determined by Microsolvation
Luis Ruiz Pestana, Hongxia Hao, Teresa Head-Gordon
Nanoconfined aqueous environments and the recent advent of accelerated chemistry in microdroplets are increasingly being investigated for catalysis. The mechanisms underlying the e…
Metal-Insulator and Magnetic Phase Diagram of CaRuO from Auxiliary Field Quantum Monte Carlo and Dynamical Mean Field Theory
Hongxia Hao, Antoine Georges, Andrew J. Millis +3
Layered perovskite ruthenium oxides exhibit a striking series of metal-insulator and magnetic-nonmagnetic phase transitions easily tuned by temperature, pressure, epitaxy, and nonl…
Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund's Physics
Hongxia Hao, Brenda M. Rubenstein, Hao Shi
In the study of strongly-correlated, many-electron systems, the Hubbard Kanamori (HK) model has emerged as one of the prototypes for transition metal oxide physics. The model is mu…