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Significant challenges remain with the development of macroscopic quantum computing, hardware problems of noise, decoherence, and scaling, software problems of error correction, and, most important, algorithm construction. Finding truly…

The past decade has witnessed significant advancements in quantum hardware, encompassing improvements in speed, qubit quantity, and quantum volume-a metric defining the maximum size of a quantum circuit effectively implementable on…

Quantum Machine Learning (QML) represents a promising frontier at the intersection of quantum computing and artificial intelligence, aiming to leverage quantum computational advantages to enhance data-driven tasks. This review explores the…

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…

At the intersection of machine learning and quantum computing, Quantum Machine Learning (QML) has the potential of accelerating data analysis, especially for quantum data, with applications for quantum materials, biochemistry, and…

This paper provides an introduction to quantum machine learning, exploring the potential benefits of using quantum computing principles and algorithms that may improve upon classical machine learning approaches. Quantum computing utilizes…

Simulating quantum physical processes has been one of the major motivations for quantum information science. Quantum channels, which are completely positive and trace preserving processes, are the standard mathematical language to describe…

Machine learning is a fascinating and exciting field within computer science. Recently, this excitement has been transferred to the quantum information realm. Currently, all proposals for the quantum version of machine learning utilize the…

Quantum computing is the process of performing calculations using quantum mechanics. This field studies the quantum behavior of certain subatomic particles for subsequent use in performing calculations, as well as for large-scale…

Quantum Machine Learning (QML) is considered to be one of the most promising applications of near term quantum devices. However, the optimization of quantum machine learning models presents numerous challenges arising from the imperfections…

In this paper, the application of quantum simulations and quantum machine learning to solve low-energy nuclear physics problems is explored. The use of quantum computing to deal with nuclear physics problems is, in general, in its infancy…

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

The resurgence of self-supervised learning, whereby a deep learning model generates its own supervisory signal from the data, promises a scalable way to tackle the dramatically increasing size of real-world data sets without human…

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

In this dissertation, we study the intersection of quantum computing and supervised machine learning algorithms, which means that we investigate quantum algorithms for supervised machine learning that operate on classical data. This area of…

In structure-based virtual screening, it is often necessary to evaluate the binding free energy of protein-ligand complexes by considering not only molecular conformations but also how these structures shift and rotate in space. The number…

Quantum machine learning (QML) requires significant quantum resources to address practical real-world problems. When the underlying quantum information exhibits hierarchical structures in the data, limitations persist in training complexity…

Machine learning techniques have led to broad adoption of a statistical model of computing. The statistical distributions natively available on quantum processors are a superset of those available classically. Harnessing this attribute has…

Molecular circuits capable of autonomous learning could unlock novel applications in fields such as bioengineering and synthetic biology. To this end, existing chemical implementations of neural computing have mainly relied on emulating…

The future development of quantum technologies relies on creating and manipulating quantum systems of increasing complexity, with key applications in computation, simulation and sensing. This poses severe challenges in the efficient…