Related papers: Quantum Advantage in Computational Chemistry?

Over the past few years, quantum computers and quantum algorithms have attracted considerable interest and attention from numerous scientific disciplines. In this article, we aim to provide a non-technical, yet informative introduction to…

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…

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…

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

Quantum computation offers a promising alternative to classical computing methods in many areas of numerical science, with algorithms that make use of the unique way in which quantum computers store and manipulate data often achieving…

The NSF Workshop in Quantum Information and Computation for Chemistry assembled experts from directly quantum-oriented fields such as algorithms, chemistry, machine learning, optics, simulation, and metrology, as well as experts in related…

The quantum information science community has seen a surge in new algorithmic developments across scientific domains. These developments have demonstrated polynomial or better improvements in computational and space complexity,…

Quantum computers promise to efficiently solve not only problems believed to be intractable for classical computers, but also problems for which verifying the solution is also considered intractable. This raises the question of how one can…

The emergence of quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. The ability of quantum computers to scale computations exponentially imply better…

This article first gives a concise introduction to quantum phase transitions, emphasizing similarities with and differences to classical thermal transitions. After pointing out the computational challenges posed by quantum phase…

Quantum computing provides a powerful framework for tackling computational problems that are classically intractable. The goal of this paper is to explore the use of quantum computers for solving relevant problems in systems and control…

The Quantum Computer Condition (QCC) provides a rigorous and completely general framework for carrying out analyses of questions pertaining to fault-tolerance in quantum computers. In this paper we apply the QCC to the problem of…

In recent years, the modeling interest has increased significantly from the molecular level to the atomic and quantum scale. The field of computational chemistry plays a significant role in designing computational models for the operation…

The search for meaningful structure in biological data has relied on cutting-edge advances in computational technology and data science methods. However, challenges arise as we push the limits of scale and complexity in biological problems.…

Quantum algorithms for both differential equation solving and for machine learning potentially offer an exponential speedup over all known classical algorithms. However, there also exist obstacles to obtaining this potential speedup in…

Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full…

First quantum computers very recently have demonstrated "quantum supremacy" or "quantum advantage": Executing a computation that would have been impossible on a classical machine. Today's quantum computers follow the NISQ paradigm: They…

The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…

Quantum computing is of high interest because it promises to perform at least some kinds of computations much faster than classical computers. Arute et al. 2019 (informally, "the Google Quantum Team") report the results of experiments that…

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…