Related papers: Condensed-Phase Quantum Chemistry
Quantum control is concerned with active manipulation of physical and chemical processes on the atomic and molecular scale. This work presents a perspective of progress in the field of control over quantum phenomena, tracing the evolution…
Quantum materials exhibit a wide array of exotic phenomena and practically useful properties. A better understanding of these materials can provide deeper insights into fundamental physics in the quantum realm as well as advance technology…
Numerous challenges persist in High Energy Physics (HEP), the addressing of which requires advancements in detection technology, computational methods, data analysis frameworks, and phenomenological designs. We provide a concise yet…
Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…
Quantum computers, with parallel computing and entanglement effects, excel in cryptography analysis and big data processing. However, they are not fully developed yet, and their performance needs further evaluation. Traditional computer…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
In recent years, deep learning has had a profound impact on machine learning and artificial intelligence. At the same time, algorithms for quantum computers have been shown to efficiently solve some problems that are intractable on…
Quantum phenomena are typically observable at length and time scales smaller than those of our everyday experience, often involving individual particles or excitations. The past few decades have seen a revolution in the ability to structure…
The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…
The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks on gate-based…
Quantum computing technologies have become a hot topic in academia and industry receiving much attention and financial support from all sides. Building a quantum computer that can be used practically is in itself an outstanding challenge…
In this paper we provide an intuitive-level discussion of the challenges and opportunities offered by quantum-based methods for supporting secure communications, e.g., over a network. The goal is to distill down to the most fundamental…
Quantum computing has demonstrated the potential to solve computationally intensive problems more efficiently than classical methods. Many software engineering tasks, such as test case selection, static analysis, code clone detection, and…
Quantum computing (QC) has gained popularity due to its unique capabilities that are quite different from that of classical computers in terms of speed and methods of operations. This paper proposes hybrid models and methods that…
From the philosopher's perspective, the interest in quantum computation stems primarily from the way that it combines fundamental concepts from two distinct sciences: physics (especially quantum mechanics) and computer science, each long a…
Quantum Computing (QC) refers to an emerging paradigm that inherits and builds with the concepts and phenomena of Quantum Mechanic (QM) with the significant potential to unlock a remarkable opportunity to solve complex and computationally…
Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…
Since its discovery in the last century, quantum entanglement has challenged some of our most cherished classical views, such as locality and reality. Today, the second quantum revolution is in full swing and promises to revolutionize areas…
A flexible treatment for gas- and aerosol-phase chemical processes has been developed for models of diverse scale, from box models up to global models. At the core of this novel framework is an "abstracted aerosol representation" that…
Quantum machine learning (QML) is rapidly transitioning from theoretical promise to practical relevance across data-intensive scientific domains. In this Review, we provide a structured overview of recent advances that bridge foundational…