Quantum computingA quantum computer is a computer that exploits quantum mechanical phenomena. At small scales, physical matter exhibits properties of both particles and waves, and quantum computing leverages this behavior, specifically quantum superposition and entanglement, using specialized hardware that supports the preparation and manipulation of quantum states. Classical physics cannot explain the operation of these quantum devices, and a scalable quantum computer could perform some calculations exponentially faster than any modern "classical" computer.
Computer scienceComputer science is the study of computation, information, and automation. Computer science spans theoretical disciplines (such as algorithms, theory of computation, and information theory) to applied disciplines (including the design and implementation of hardware and software). Though more often considered an academic discipline, computer science is closely related to computer programming. Algorithms and data structures are central to computer science.
Quantum information scienceQuantum information science is a field that combines the principles of quantum mechanics with information science to study the processing, analysis, and transmission of information. It covers both theoretical and experimental aspects of quantum physics, including the limits of what can be achieved with quantum information. The term quantum information theory is sometimes used, but it does not include experimental research and can be confused with a subfield of quantum information science that deals with the processing of quantum information.
Quantum informationQuantum information is the information of the state of a quantum system. It is the basic entity of study in quantum information theory, and can be manipulated using quantum information processing techniques. Quantum information refers to both the technical definition in terms of Von Neumann entropy and the general computational term. It is an interdisciplinary field that involves quantum mechanics, computer science, information theory, philosophy and cryptography among other fields.
Quantum mechanicsQuantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales.
Theoretical computer scienceTheoretical computer science (TCS) is a subset of general computer science and mathematics that focuses on mathematical aspects of computer science such as the theory of computation, lambda calculus, and type theory. It is difficult to circumscribe the theoretical areas precisely. The ACM's Special Interest Group on Algorithms and Computation Theory (SIGACT) provides the following description: History of computer science While logical inference and mathematical proof had existed previously, in 1931 Kurt Gödel proved with his incompleteness theorem that there are fundamental limitations on what statements could be proved or disproved.
Quantum chemistryQuantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
Computer science and engineeringComputer science and engineering (CSE) is an academic program at many universities which comprises scientific and engineering aspects of computing. CSE is also a term often used in Europe to translate the name of engineering informatics academic programs. It is offered in both undergraduate as well postgraduate with specializations. Academic programs vary between colleges, but typically include a combination of topics in computer science, computer engineering, and electrical engineering.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Applications of artificial intelligenceArtificial intelligence (AI) has been used in applications to alleviate certain problems throughout industry and academia. AI, like electricity or computers, is a general purpose technology that has a multitude of applications. It has been used in fields of language translation, image recognition, credit scoring, e-commerce and other domains. Recommendation system A recommendation system predicts the "rating" or "preference" a user would give to an item.
Artificial intelligenceArtificial intelligence (AI) is the intelligence of machines or software, as opposed to the intelligence of human beings or animals. AI applications include advanced web search engines (e.g., Google Search), recommendation systems (used by YouTube, Amazon, and Netflix), understanding human speech (such as Siri and Alexa), self-driving cars (e.g., Waymo), generative or creative tools (ChatGPT and AI art), and competing at the highest level in strategic games (such as chess and Go).
Machine learningMachine learning (ML) is an umbrella term for solving problems for which development of algorithms by human programmers would be cost-prohibitive, and instead the problems are solved by helping machines 'discover' their 'own' algorithms, without needing to be explicitly told what to do by any human-developed algorithms. Recently, generative artificial neural networks have been able to surpass results of many previous approaches.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Interpretations of quantum mechanicsAn interpretation of quantum mechanics is an attempt to explain how the mathematical theory of quantum mechanics might correspond to experienced reality. Although quantum mechanics has held up to rigorous and extremely precise tests in an extraordinarily broad range of experiments, there exist a number of contending schools of thought over their interpretation. These views on interpretation differ on such fundamental questions as whether quantum mechanics is deterministic or stochastic, local or non-local, which elements of quantum mechanics can be considered real, and what the nature of measurement is, among other matters.
Semi-empirical quantum chemistry methodSemi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree–Fock method without the approximations is too expensive. The use of empirical parameters appears to allow some inclusion of electron correlation effects into the methods. Within the framework of Hartree–Fock calculations, some pieces of information (such as two-electron integrals) are sometimes approximated or completely omitted.
Expert systemIn artificial intelligence, an expert system is a computer system emulating the decision-making ability of a human expert. Expert systems are designed to solve complex problems by reasoning through bodies of knowledge, represented mainly as if–then rules rather than through conventional procedural code. The first expert systems were created in the 1970s and then proliferated in the 1980s. Expert systems were among the first truly successful forms of artificial intelligence (AI) software.
Collaborative softwareCollaborative software or groupware is application software designed to help people working on a common task to attain their goals. One of the earliest definitions of groupware is "intentional group processes plus software to support them." Regarding available interaction, collaborative software may be divided into real-time collaborative editing platforms that allow multiple users to engage in live, simultaneous, and reversible editing of a single file (usually a document); and version control (also known as revision control and source control) platforms, which allow users to make parallel edits to a file, while preserving every saved edit by users as multiple files that are variants of the original file.
Application softwareAn application program (software application, or application, or app for short) is a computer program designed to carry out a specific task other than one relating to the operation of the computer itself, typically to be used by end-users. Word processors, media players, and accounting software are examples. The collective noun "application software" refers to all applications collectively. The other principal classifications of software are system software, relating to the operation of the computer, and utility software ("utilities").
Distributed artificial intelligenceDistributed Artificial Intelligence (DAI) also called Decentralized Artificial Intelligence is a subfield of artificial intelligence research dedicated to the development of distributed solutions for problems. DAI is closely related to and a predecessor of the field of multi-agent systems. Multi-agent systems and distributed problem solving are the two main DAI approaches. There are numerous applications and tools. Distributed Artificial Intelligence (DAI) is an approach to solving complex learning, planning, and decision-making problems.
Online machine learningIn computer science, online machine learning is a method of machine learning in which data becomes available in a sequential order and is used to update the best predictor for future data at each step, as opposed to batch learning techniques which generate the best predictor by learning on the entire training data set at once. Online learning is a common technique used in areas of machine learning where it is computationally infeasible to train over the entire dataset, requiring the need of out-of-core algorithms.
