84 citations · 302 across the 12 of their papers we have counts for
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Materials under high pressure: A chemical perspective
Katerina P. Hilleke, Tiange Bi, Eva Zurek
At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - i…
Tuning Chemical Precompression: Theoretical Design and Crystal Chemistry of Novel Hydrides in the Quest for Warm and Light Superconductivity at Ambient Pressures
Katerina P. Hilleke, Eva Zurek
Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under p…
A Little Bit of Carbon Can do a Lot for Superconductivity in HS
Xiaoyu Wang, Tiange Bi, Katerina P. Hilleke +3
First-principles calculations were carried out to provide a chemical basis for proposed structures associated with the recently reported room-temperature superconductivity in a car…
Structural Motifs and Bonding in Two Families of Boron Structures Predicted at Megabar Pressures
Katerina P. Hilleke, Eva Zurek, Tadashi Ogitsu +1
The complex crystal chemistry of elemental boron has led to numerous proposed structures with distinctive motifs as well as contradictory findings. Herein, evolutionary structure s…