Related papers: Active-Learning Inspired $\textit{Ab Initio}$ Theo…
Analytical formulas are presented for simplified but useful qubit geometries that predict surface dielectric loss when its thickness is much less than the metal thickness, the limiting case needed for real devices. These formulas can thus…
It is frequently observed that even at very low temperatures the number of quasiparticles in superconducting materials is higher than predicted by standard BCS-theory. These quasiparticles can interact with two-level systems, such as…
We present a novel transmon qubit fabrication technique that yields systematic improvements in T$_1$ relaxation times. We fabricate devices using an encapsulation strategy that involves passivating the surface of niobium and thereby…
High-k oxides such as SrTiO3 promise large capacitance, but their dielectric response is often limited by leakage currents due to reduced bandgaps. We show that introducing a thin barrier layer beneath SrTiO3 is a simple and effective way…
The recent discovery nickel oxides superconductors have highlighted the importance of first-principles simulations for understanding the formation of the bound electrons at the core of superconductivity. Nevertheless, superconductivity in…
A major issue for the implementation of large scale superconducting quantum circuits is the interaction with interfacial two-level system defects (TLS) that leads to qubit relaxation and impedes qubit operation in certain frequency ranges…
Scaling up superconducting quantum circuits based on transmon qubits necessitates substantial enhancements in qubit coherence time. Among the materials considered for transmon qubits, tantalum (Ta) has emerged as a promising candidate,…
Understanding the structure and properties of refractory oxides are critical for high temperature applications. In this work, a combined experimental and simulation approach uses an automated closed loop via an active-learner, which is…
Owing to the trade-off between the accuracy and efficiency, machine-learning-potentials (MLPs) have been widely applied in the battery materials science, enabling atomic-level dynamics description for various critical processes. However,…
Superconducting qubits have arisen as a leading technology platform for quantum computing which is on the verge of revolutionizing the world's calculation capacities. Nonetheless, the fabrication of computationally reliable qubit circuits…
Defects and their interactions in crystalline solids often underpin material properties and functionality as they are decisive for stability, result in enhanced diffusion, and act as a reservoir of vacancies. Recently, lithium-rich layered…
Two-level systems (TLS) in native Nb and Ta oxides limit superconducting-qubit coherence and SRF-cavity quality factors in the microwave frequency range, yet their microscopic origin remains unclear. We combine MLIP-accelerated sampling of…
Tantalum is a promising platform for superconducting quantum circuits, yet coherence times remain limited by dielectric losses from interfacial two-level systems (TLS), exacerbated by native oxide regrowth. Here, we implement molecular…
Superconducting qubits have been used in the most advanced demonstrations of quantum information processing, and they can be manufactured at-scale using proven semiconductor techniques. This makes them one of the leading technologies in the…
Despite mounting evidence that materials imperfections are a major obstacle to practical applications of superconducting qubits, connections between microscopic material properties and qubit coherence are poorly understood. Here, we perform…
$1/f$ noise caused by microscopic Two-Level Systems (TLS) is known to be very detrimental to the performance of superconducting quantum devices but the nature of these TLS is still poorly understood. Recent experiments with superconducting…
Standard density functional theory (DFT) routinely misclassifies the electronic ground state of correlated and structurally complex compounds, predicting metallic behaviour for materials that experiments report as semiconductors. Each such…
We formulate the maximum driving force (MDF) parameter as a descriptor to capture the thermodynamic stability of aqueous surface scale creation over a range of environmental conditions. We use formation free energies, $\Delta_f G$s, sourced…
Unraveling the atomistic and the electronic structure of solid-liquid interfaces is the key to the design of new materials for many important applications, from heterogeneous catalysis to battery technology. Density functional theory (DFT)…
Covalent Organic Frameworks (COFs) are versatile two-dimensional (2D) materials for flexible electronics, catalysis, and sensing, owing to their tunable architectures and large surface areas. However, like most materials, COFs inevitably…