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The development of novel quantum bits is key to extend the scope of solid-state quantum information science and technology. Using first-principles calculations, we propose that large metal ion - vacancy complexes are promising qubit…
Identifying scalable materials systems that exhibit quantum behavior is a central challenge in quantum information science. Point defects in certain wide-bandgap semiconductors are promising in this regard due to the maturity of…
Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learning (ML) models trained on computational data can enable…
We present experimental results on running 4-qubit unstructured search on IBM quantum processors. Our best attempt attained probability of success around 24.5%. We try several algorithms and use the most recent developments in quantum…
Identify, Transform, Benchmark, Show Quantum Advantage (ITBQ): Evaluating use cases for quantum computers. We introduce a four-step framework for assessing quantum computing applications -- from identifying relevant industry problems to…
The interest in quantum computing is growing, and with it, the importance of software platforms to develop quantum programs. Ensuring the correctness of such platforms is important, and it requires a thorough understanding of the bugs they…
Quantum computing has become an active research field in recent years, as its applications in fields such as cryptography, optimization, and materials science are promising. Along with these developments, challenges and opportunities exist…
Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of $d$ and $f$ electron materials…
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…
Motivated by the recently demonstrated ability to attach quantum dots to polymers at well defined locations, we propose a condensed phase analog of the ion trap quantum computer: a scheme for quantum computation using chemically assembled…
As is well known, qubits are the fundamental building blocks of quantum computers, and more generally, of quantum information. A major challenge in the development of quantum devices arises because the information content in any quantum…
Quantum software represents disruptive technologies in terms of quantum-specific software systems, services, and applications - leverage the principles of quantum mechanics via programmable quantum bits (Qubits) that manipulate quantum…
We propose a quantum computer architecture involving substitutional donors in photonic-crystal silicon cavities and the optical initialization, manipulation, and detection processes already demonstrated in ion traps and other atomic…
Color centers in host semiconductors are prime candidates for spin-photon interfaces that would enable numerous quantum applications. The discovery of an optimal spin-photon interface in silicon would move quantum information technologies…
A physical platform for nodes of the envisioned quantum internet is long-sought. Here we propose such a platform, along with a conceptually simple and experimentally uncomplicated quantum information processing scheme, realized in a system…
Advances in quantum technologies are accelerating the demand for optical quantum state sensors that combine high precision, versatility, and scalability within a unified hardware platform. Quantum reservoir computing offers a powerful route…
As quantum computing is rising in popularity, the amount of quantum programs and the number of developers writing them are increasing rapidly. Unfortunately, writing correct quantum programs is challenging due to various subtle rules…
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…
Data mining is a recognized predictive tool in a variety of areas ranging from bioinformatics and drug design to crystal structure prediction. In the present study, an electronic structure implementation has been combined with structural…
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…