Related papers: Quantum Advantage in Computational Chemistry?
Quantum computing is a new computational paradigm with the potential to solve certain computationally challenging problems much faster than traditional approaches. Civil engineering encompasses many computationally challenging problems,…
Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…
Within the last decade much progress has been made in the experimental realisation of quantum computing hardware based on a variety of physical systems. Rapid progress has been fuelled by the conviction that sufficiently powerful quantum…
Quantum computers promise to surpass the most powerful classical supercomputers when it comes to solving many critically important practical problems, such as pharmaceutical and fertilizer design, supply chain and traffic optimization, or…
Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we consider the application of quantum computers to scientific computing and…
Developing a systematic view of where quantum computers will outperform classical ones is important for researchers, policy makers and business leaders. But developing such a view is challenging because quantum advantage analyses depend not…
We describe the problems of quantum chemistry, the intuition behind classical heuristic methods used to solve them, a conjectured form of the classical complexity of quantum chemistry problems, and the subsequent opportunities for quantum…
Quantum computing, leveraging quantum phenomena like superposition and entanglement, is emerging as a transformative force in computing technology, promising unparalleled computational speed and efficiency crucial for engineering…
Quantum computing is an emerging paradigm with the potential to offer significant computational advantage over conventional classical computing by exploiting quantum-mechanical principles such as entanglement and superposition. It is…
The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…
Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…
Quantum computing has the potential to provide exponential performance benefits in processing over classical computing. It utilizes quantum mechanics phenomena (such as superposition, entanglement, and interference) to solve a computational…
Quantum computer provides new opportunities for quantum chemistry. In this article, we present a versatile, extensible, and efficient software package, named Q$^2$Chemistry, for developing quantum algorithms and quantum inspired classical…
Quantum random sampling is the leading proposal for demonstrating a computational advantage of quantum computers over classical computers. Recently, first large-scale implementations of quantum random sampling have arguably surpassed the…
Quantum computing technology is advancing rapidly. Yet, even accounting for these trends, a quantum leap would be needed for quantum computers to meaningfully impact deep learning over the coming decade or two. We arrive at this conclusion…
The recent development of quantum computing, which uses entanglement, superposition, and other quantum fundamental concepts, can provide substantial processing advantages over traditional computing. These quantum features help solve many…
Quantum computation is a rapidly progressing field today. What are its principles? In what sense is it distinct from conventional computation? What are its advantages and disadvantages? What type of problems can it address? How practical is…
The idea to use quantum mechanical devices to simulate other quantum systems is commonly ascribed to Feynman. Since the original suggestion, concrete proposals have appeared for simulating molecular and materials chemistry through quantum…
Most continuous mathematical formulations arising in science and engineering can only be solved numerically and therefore approximately. We shall always assume that we're dealing with a numerical approximation to the solution. There are two…
Over the past decades, atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive thanks to the development of accurate and efficient techniques that describe the quantum mechanical…