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Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…
Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisy intermediate-scale quantum (NISQ) hardware is…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
This report presents a practical approach to teaching quantum computing to Electrical Engineering & Computer Science (EECS) students through dedicated hands-on programming labs. The labs cover a diverse range of topics, encompassing…
We develop a layered quantum computer architecture, which is a systematic framework for tackling the individual challenges of developing a quantum computer while constructing a cohesive device design. We discuss many of the prominent…
Quantum chemistry has been viewed as one of the potential early applications of quantum computing. Two techniques have been proposed for electronic structure calculations: (i) the variational quantum eigensolver and (ii) the…
Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…
Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…
Advances in quantum computation for electronic structure, and particularly heuristic quantum algorithms, create an ongoing need to characterize the performance and limitations of these methods. Here we discuss some potential pitfalls…
Distributed quantum computing combines the computational power of multiple devices to overcome the limitations of individual devices. Circuit cutting techniques enable the distribution of quantum computations through classical…
Given the limitations on the number of qubits in current noisy intermediate-scale quantum (NISQ) devices, the implementation of large-scale quantum algorithms on such devices is challenging, prompting research into distributed quantum…
Quantum computing holds immense potential for solving classically intractable problems by leveraging the unique properties of quantum mechanics. The scalability of quantum architectures remains a significant challenge. Multi-core quantum…
The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…
Quantum Key Distribution (QKD) is currently being discussed as a technology to safeguard communication in a future where quantum computers compromise traditional public-key cryptosystems. In this paper, we conduct a comprehensive security…
The paradigm behind digital quantum computing inherits the idea of using binary information processing. Nature in fact gives much more rich structures of physical objects that can be used for encoding information, which is especially…
This report offers a comprehensive analysis of the evolving landscape of quantum algorithm software specifically tailored for condensed matter physics. It examines fundamental quantum algorithms such as Variational Quantum Eigensolver…
Solving the electronic structure problem via unitary evolution of the electronic Hamiltonian is one of the promising applications of digital quantum computers. One of the practical strategies to implement the unitary evolution is via…
Recently, the development of quantum chips has made great progress-- the number of qubits is increasing and the fidelity is getting higher. However, qubits of these chips are not always fully connected, which sets additional barriers for…
Quantum error correction (QEC) is believed to be essential for the realization of large-scale quantum computers. However, due to the complexity of operating on the encoded `logical' qubits, understanding the physical principles for building…
Realizing a conceptual quantum algorithm on an actual physical device necessitates the algorithm's quantum circuit description to undergo certain transformations in order to adhere to all constraints imposed by the hardware. In this regard,…