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Ab initio electronic excited state calculations are necessary for the quantitative study of photochemical reactions, but their accurate computation on classical computers is plagued by prohibitive scaling. The Variational Quantum Deflation…
Error mitigation has enabled quantum computing applications with over one hundred qubits and deep circuits. The most general error mitigation methods rely on a faithful characterization of the noise channels of the hardware. However,…
Quantum computational chemistry (QCC) is the use of quantum computers to solve problems in computational quantum chemistry. We develop a high performance variational quantum eigensolver (VQE) simulator for simulating quantum computational…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
Measurement-based quantum computation (MBQC) represents a powerful and flexible framework for quantum information processing, based on the notion of entangled quantum states as computational resources. The most prominent application is the…
Measurement-based quantum computation has revolutionized quantum information processing, and the physical systems with which it can be implemented. One simply needs the ability to prepare a particular state, known as the cluster state, and…
The unitary coupled cluster (UCC) algorithm is one of the most promising implementations of the variational quantum eigensolver for quantum computers. However, for large systems, the number of UCC factors leads to deep quantum circuits,…
Quantum state preparation plays an equally important role with quantum operations and measurements in quantum information processing. The previous methods of preparing initial state for bulk quantum computation all have inevitable…
Highly entangled states called cluster states are a universal resource for measurement-based quantum computing (QC). Here we propose an efficient method for producing large cluster states using superconducting quantum circuits. We show that…
We introduce the multistate iterative qubit coupled cluster (MS-iQCC) method, a quantum-inspired algorithm that runs efficiently on classical hardware and is designed to predict both ground and excited electronic states of molecules.…
The Measurement Based Quantum Computation (MBQC) model achieves universal quantum computation by employing projective single qubit measurements with classical feedforward on a highly entangled multipartite cluster state. Rapid advances in…
The cluster state model for quantum computation has paved the way for schemes that allow scalable quantum computing, even when using non-deterministic quantum gates. Here the initial step is to prepare a large entangled state using…
This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…
Quantum state preparation is an important class of quantum algorithms that is employed as a black-box subroutine in many algorithms, or used by itself to generate arbitrary probability distributions. We present a novel state preparation…
The electron pair approximation offers a resource efficient variational quantum eigensolver (VQE) approach for quantum chemistry simulations on quantum computers. With the number of entangling gates scaling quadratically with system size…
We propose a co-designed variant of ADAPT-VQE (Co-ADAPT-VQE) where the quantum hardware is taken into account in the construction of the ansatz. This framework can be readily used to optimize state preparation circuits for any device,…
This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…
Mapping out phase diagrams of quantum systems using classical simulations can be challenging or intractable due to the computational resources required to simulate even small quantum systems far away from the thermodynamic limit. We…
Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…
A quantum computer promises efficient processing of certain computational tasks that are intractable with classical computer technology. While basic principles of a quantum computer have been demonstrated in the laboratory, scalability of…