Eva Zurek

State University of New York at Buffalo

United States

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Articles (21)

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2022

Collaborators (8)

Hannah Alice Shuttleworth

University of Edinburgh

UNITED KINGDOM

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Li Zhu

Assistant Professor

Rutgers University

UNITED STATES

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Jon‐Paul Maria

UNITED STATES

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Daniel Miller

Professor

Hofstra University

UNITED STATES

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Douglas Wolfe

Professor

Pennsylvania State University

UNITED STATES

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Matthew Hanson

Assistant Professor of Chemistry

Le Moyne College

UNITED STATES

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Samad Hajinazar

Binghamton University

UNITED STATES

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Xiaoyu Wang

University at Albany, State University of New York

UNITED STATES

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Eva Zurek

Research Interests

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Articles (21)

Activation of Semicore Electrons in Alkali Metals and Their Role in the B1–B2 Phase Transition under Pressure

Experimental signatures of interstitial electron density in transparent dense sodium

Refining Tc Prediction in Hydrides via Symbolic‐Regression‐Enhanced Electron‐Localization‐Function‐Based Descriptors

Theoretical predictions of MB5N5: Atom-stuffed boronitride clathrate cages derived from the high-pressure superhydrides

High Pressure Synthesis of Rubidium Superhydrides

Interfacial defect properties of high-entropy carbides: Stacking faults, Shockley partial dislocations, and a new Evans-Polanyi-Semenov relation

Effect of quantum anharmonicity on the superconductivity of I4¯3m CH4−H3S at high pressures: A first-principles study

Efficient modelling of anharmonicity and quantum effects in PdCuH2 with machine learning potentials

Looking at high-pressure electrides through the lens of quantum crystallography: the case of simple cubic calcium

Bipolar HiPIMS kick‐pulse for high hardness in high‐entropy boride thin films

A Computational Experiment Introducing Undergraduates to Geometry Optimizations, Vibrational Frequencies, and Potential Energy Surfaces

Applying Density Functional Theory to Common Organic Mechanisms: A Computational Exercise

Correction to “Conventional High-Temperature Superconductivity in Metallic, Covalently Bonded, Binary-Guest C–B Clathrates”

Conventional High-Temperature Superconductivity in Metallic, Covalently Bonded, Binary-Guest C–B Clathrates

Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases

Structure, stability, and superconductivity of N-doped lutetium hydrides at kbar pressures

Intercalating Helium into A-Site Vacant Perovskites

Hydrazonyl Sultones as Stable Tautomers of Highly Reactive Nitrile Imines for Fast Bioorthogonal Ligation Reaction

Topological electride phase of sodium at high pressures and temperatures

Designing ternary superconducting hydrides with A15-type structure at moderate pressures

Rational Design of Superconducting Metal Hydrides via Chemical Pressure Tuning**

Collaborators (8)

Hannah Alice Shuttleworth

Li Zhu

Jon‐Paul Maria

Daniel Miller

Douglas Wolfe

Matthew Hanson

Samad Hajinazar

Xiaoyu Wang

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