Related papers: Condensed-Phase Quantum Chemistry
In connection with the contribution "Quantum Condensates in Nuclear Matter" some problems are given to become more familiar with the techniques of many-particle physics.
In a series of papers in the last ten years, various aspects of the mathematical foundations of the quantum theory of atoms in molecules have been considered by this author and his coworkers in some details. Although these considerations…
This introductory review discusses the main problems facing the attempt to build quantum information processing systems (like quantum computers) from spin-based qubits. We emphasize 'bottom-up' attempts using methods from chemistry. The…
The last few decades have seen significant breakthroughs in the fields of deep learning and quantum computing. Research at the junction of the two fields has garnered an increasing amount of interest, which has led to the development of…
Quantum-logic techniques used to manipulate quantum systems are now increasingly being applied to molecules. Previous experiments on single trapped diatomic species have enabled state detection with excellent fidelities and highly precise…
Quantum computing is emerging as a promising technology, which is built on the principles of subatomic physics. By the time of writing, fully fledged practical quantum computers are not widely available. But research and development are…
Free energy calculations are at the heart of physics-based analyses of biochemical processes. They allow us to quantify molecular recognition mechanisms, which determine a wide range of biological phenomena from how cells send and receive…
With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…
Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…
Quantum computing is presently undergoing rapid development to achieve a significant speedup promised in certain applications. Nonetheless, scaling quantum computers remains a formidable engineering challenge, prompting exploration of…
While recent progress in quantum hardware open the door for significant speedup in certain key areas (cryptography, biology, chemistry, optimization, machine learning, etc), quantum algorithms are still hard to implement right, and the…
During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First principles…
Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is in the investigation of reaction mechanisms in condensed-phase and…
The emerging field of quantum computing has shown it might change how we process information by using the unique principles of quantum mechanics. As researchers continue to push the boundaries of quantum technologies to unprecedented…
In the last 25 years a new understanding has evolved of the role of information in quantum mechanics. At the same time there has been tremendous progress in atomic/optical physics and condensed matter physics, and particularly at the…
The concept of quantum computing has inspired a whole new generation of scientists, including physicists, engineers, and computer scientists, to fundamentally change the landscape of information technology. With experimental demonstrations…
Modern computational chemistry has reached a stage at which massive exploration into chemical reaction space with unprecedented resolution with respect to the number of potentially relevant molecular structures has become possible. Various…
Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups e.g. for integer factorization or database search. However, since physical realizations of quantum…
Quantum computing harnesses quantum laws of nature to enable new types of algorithms, not efficiently possible on traditional computers, that may lead to breakthroughs in crucial areas like materials science and chemistry. There is rapidly…
Quantum computing is experiencing the transition from a scientific to an engineering field with the promise to revolutionize an extensive range of applications demanding high-performance computing. Many implementation approaches have been…