E. Zurek

activity

20242026

most citedPredicted High-Pressure Hot Superconductivity in Li

_{2}

CaH

_{16}

and Li

_{2}

CaH

_{17}

Phases that Resemble the Type-II Clathrate Structure

18 citations · 20 across the 7 of their papers we have counts for

collaborators

7 papers

cond-mat.mtrl-sci2026

Geometry-Based Neural-Network Prediction of Electron Localization Function Topology in Dense Hydrogen

Xiaoyu Wang, Miriam Marqués, Sergio Gómez +3

We develop a machine-learning framework to predict the electron localization function (ELF) of pure, dense hydrogen directly from atomic geometry, bypassing explicit electronic-str…

cond-mat.mtrl-sci2025

Non-local Chemistry Driven by Cation-Anion Size Disparity in Helium Inserted Compounds under High Pressure

Zhen Liu, Stefano Raciopp, Katerina P. Hilleke +6

Opposing the theory that Helium (He) cannot be inserted into AB-type ionic compounds due to the Madelung energy increase, our crystal structure search and first-principles calculat…

cond-mat.mtrl-sci2025

Superionicity in Ammonium Polyhydrides at Extreme Pressures

Kyla de Villa, Xiaoyu Wang, Eva Zurek +1

Polyhydrides have been shown to form novel structures at high pressure, which may be found in the interiors of giant planets. With density functional molecular dynamics simulations…

cond-mat.supr-con2025★ 2 cited

Single layer clathrane: A potential superconducting two-dimensional (2D) hydrogenated metal borocarbide

Xiaoyu Wang, Warren E. Pickett, Matthew N. Julian +2

We propose a new family of two-dimensional (2D) metal-borocarbide clathrane superconductors, derived from three-dimensional (3D) MM $^{'}$ B $_{6}$ C $_{6}$ clathrates. First-principles…

cond-mat.supr-con2025

Creation, stabilization, and study at ambient pressure of pressure-induced superconductivity in Bi $_{0.5}$ Sb $_{1.5}$ Te $_{3}$

Liangzi Deng, Busheng Wang, Clayton Halbert +13

In light of breakthroughs in superconductivity under high pressure, and considering that record critical temperatures (T $_{c}$ s) across various systems have been achieved under high…

cond-mat.supr-con2024

Why Mg $_{2}$ IrH $_{6}$ is predicted to be a high temperature superconductor, but Ca $_{2}$ IrH $_{6}$ is not

Xiaoyu Wang, Warren Pickett, Micheal Hutcheon +2

The X $_{2}$ MH $_{6}$ family, consisting of an electropositive cation X and a main group metal M octahedrally coordinated by hydrogen, has been predicted to hold promise for high-tempera…

cond-mat.supr-con2024★ 18 cited

Predicted High-Pressure Hot Superconductivity in Li $_{2}$ CaH $_{16}$ and Li $_{2}$ CaH $_{17}$ Phases that Resemble the Type-II Clathrate Structure

Morgan Redington, Eva Zurek

High-temperature high-pressure superconducting hydrides are typically characterized by cage-like hydrogenic lattices filled with electropositive metal atoms. Here, density function…