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Finding new materials with previously unknown atomic structure or materials with optimal set of properties for a specific application greatly benefits from computational modeling. Recently, such screening has been dramatically accelerated…
Energy-efficient classical information processing and storage based on topological defects in magnetic systems have been studied over past decade. In this work, we introduce a class of macroscopic quantum devices in which a quantum state is…
We propose a new structure suitable for quantum computing in a solid state environment: designed defect states in antidot lattices superimposed on a two-dimensional electron gas at a semiconductor heterostructure. State manipulation can be…
Single atoms provide an ideal system for utilizing fundamental quantum functions. Their electrons have well-defined energy levels and spin properties. Even more importantly, for a given isotope -- say, $^{12}$C -- all the atoms are…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
We demonstrate the defect-free assembly of versatile target patterns of up 111 neutral atoms, building on a 361-site subset of a micro-optical architecture that readily provides thousands of sites for single-atom quantum systems. By…
Quantum spin Hall insulators are a class of topological materials that has been extensively studied during the past decade. One of their distinctive features is the presence of a finite band gap in the bulk and gapless, topologically…
There are several important solid-state systems, such as defects in solids, superconducting circuits and molecular qubits, for attractive candidates of quantum computations. Molecular qubits, which benefit from the power of chemistry for…
We present an open-source database of superconducting quantum device designs that may be used as the starting point for customized devices. Each design can be generated programmatically using the open-source Qiskit Metal package, and…
Achieving scalable, fault-tolerant quantum computation requires quantum memory architectures that minimize error correction overhead while preserving coherence. This work presents a framework for high-dimensional qudit memory in…
Quantum bits have technological imperfections. Additionally, the capacity of a component that can be implemented feasibly is limited. Therefore, distributed quantum computation is required to scale up quantum computers. This dissertation…
High-throughput density functional theory (DFT) calculations allow for a systematic search for conventional superconductors. With the recent interest in two-dimensional (2D) superconductors, we used a high-throughput workflow to screen over…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
An error-corrected quantum processor will require millions of qubits, accentuating the advantage of nanoscale devices with small footprints, such as silicon quantum dots. However, as for every device with nanoscale dimensions, disorder at…
Accurate interatomic potentials (IAPs) are essential for modeling the potential energy surfaces (PES) that govern atomic interactions in materials. However, most existing IAPs are developed for bulk materials and often struggle to…
Protein structure prediction is a core challenge in computational biology, particularly for fragments within ligand-binding regions, where accurate modeling is still difficult. Quantum computing offers a novel first-principles modeling…
We introduce protocols for designing and manipulating qubits with ultracold alkali atoms in 3D optical lattices. These qubits are formed from two-atom spin superposition states that create a decoherence-free subspace immune to stray…
Fusion-based quantum computing is an attractive model for fault-tolerant computation based on photonics requiring only finite-sized entangled resource states followed by linear-optics operations and photon measurements. Large-scale…
Superconducting quantum processor units (QPUs) are incapable of producing massive datasets for quantum error correction (QEC) because of hardware limitations. Thus, QEC decoders heavily depend on synthetic data from qubit error models.…
A solid-state quantum emitter is one of the indispensable components for optical quantum technologies. Ideally, an emitter should have a compatible wavelength for efficient coupling to other components in a quantum network. It is therefore…