Related papers: Quantum Information and Computation for Chemistry
Quantum computers are expected to surpass the computational capabilities of classical computers during this decade and have transformative impact on numerous industry sectors, particularly finance. In fact, finance is estimated to be the…
The field of computational chemistry is increasingly leveraging machine learning (ML) potentials to predict molecular properties with high accuracy and efficiency, providing a viable alternative to traditional quantum mechanical (QM)…
Quantum information processing is the emerging field that defines and realizes computing devices that make use of quantum mechanical principles, like the superposition principle, entanglement, and interference. In this review we study the…
Quantum memories are essential for quantum information processing and long-distance quantum communication. The field has recently seen a lot of progress, and the present focus issue offers a glimpse of these developments, showing both…
Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the challenges and opportunities of applying quantum computers 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…
Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational capabilities in many areas of chemical research by bringing…
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming…
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…
Quantum computing is a rapidly developing field in the second wave of quantum development, with the potential to revolutionize a wide range of industries and fields of study. As the capabilities of quantum computers continue to advance,…
The design of new devices and experiments in science and engineering has historically relied on the intuitions of human experts. This credo, however, has changed. In many disciplines, computer-inspired design processes, also known as…
Quantum computing is a highly abstract scientific discipline, which, however, is expected to have great practical relevance in future information technology. This forces educators to seek new methods to teach quantum computing for students…
Quantum information is a rapidly advancing area of interdisciplinary research. It may lead to real-world applications for communication and computation unavailable without the exploitation of quantum properties such as nonorthogonality or…
The National Energy Research Scientific Computing Center (NERSC), as the high-performance computing (HPC) facility for the Department of Energy's Office of Science, recognizes the essential role of quantum computing in its future mission.…
Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering,…
This is the draft version of a textbook, which aims to introduce the quantum information science viewpoints on condensed matter physics to graduate students in physics (or interested researchers). We keep the writing in a self-consistent…
Catalytic processes are vital in the chemical industry, with nitrogen-to-ammonia conversion being a major industrial process. Designing catalysts relies on computational chemistry methods like Density Functional Theory (DFT), which have…
This text aims to present and explain quantum machine learning algorithms to a data scientist in an accessible and consistent way. The algorithms and equations presented are not written in rigorous mathematical fashion, instead, the…
Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields. A reliable physicochemical understanding of these processes is crucial for the design and synthesis of chemicals…
This is a course on the theory of quantum computing. It consists of 16 lessons, each with a video and written component, covering the basics of quantum information, quantum algorithms (including query algorithms, Shor's algorithm for…