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.
Quantum error correctionQuantum error correction (QEC) is used in quantum computing to protect quantum information from errors due to decoherence and other quantum noise. Quantum error correction is theorised as essential to achieve fault tolerant quantum computing that can reduce the effects of noise on stored quantum information, faulty quantum gates, faulty quantum preparation, and faulty measurements. This would allow algorithms of greater circuit depth. Classical error correction employs redundancy.
Quantum field theoryIn theoretical physics, quantum field theory (QFT) is a theoretical framework that combines classical field theory, special relativity, and quantum mechanics. QFT is used in particle physics to construct physical models of subatomic particles and in condensed matter physics to construct models of quasiparticles. QFT treats particles as excited states (also called quanta) of their underlying quantum fields, which are more fundamental than the particles.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
InstantonAn instanton (or pseudoparticle) is a notion appearing in theoretical and mathematical physics. An instanton is a classical solution to equations of motion with a finite, non-zero action, either in quantum mechanics or in quantum field theory. More precisely, it is a solution to the equations of motion of the classical field theory on a Euclidean spacetime. In such quantum theories, solutions to the equations of motion may be thought of as critical points of the action.
Quantum tunnellingIn physics, quantum tunnelling, barrier penetration, or simply tunnelling is a quantum mechanical phenomenon in which an object such as an electron or atom passes through a potential energy barrier that, according to classical mechanics, the object does not have sufficient energy to enter or surmount. Tunneling is a consequence of the wave nature of matter, where the quantum wave function describes the state of a particle or other physical system, and wave equations such as the Schrödinger equation describe their behavior.
Quantum cryptographyQuantum cryptography is the science of exploiting quantum mechanical properties to perform cryptographic tasks. The best known example of quantum cryptography is quantum key distribution which offers an information-theoretically secure solution to the key exchange problem. The advantage of quantum cryptography lies in the fact that it allows the completion of various cryptographic tasks that are proven or conjectured to be impossible using only classical (i.e. non-quantum) communication.
Euler methodIn mathematics and computational science, the Euler method (also called the forward Euler method) is a first-order numerical procedure for solving ordinary differential equations (ODEs) with a given initial value. It is the most basic explicit method for numerical integration of ordinary differential equations and is the simplest Runge–Kutta method. The Euler method is named after Leonhard Euler, who first proposed it in his book Institutionum calculi integralis (published 1768–1870).
Quantum superpositionQuantum superposition is a fundamental principle of quantum mechanics. In classical mechanics, things like position or momentum are always well-defined. We may not know what they are at any given time, but that is an issue of our understanding and not the physical system. In quantum mechanics, a particle can be in a superposition of different states. However, a measurement always finds it in one state, but before and after the measurement, it interacts in ways that can only be explained by having a superposition of different states.
Mathematical constantA mathematical constant is a key number whose value is fixed by an unambiguous definition, often referred to by a special symbol (e.g., an alphabet letter), or by mathematicians' names to facilitate using it across multiple mathematical problems. Constants arise in many areas of mathematics, with constants such as e and pi occurring in such diverse contexts as geometry, number theory, statistics, and calculus. Some constants arise naturally by a fundamental principle or intrinsic property, such as the ratio between the circumference and diameter of a circle (pi).
Threshold theoremIn quantum computing, the threshold theorem (or quantum fault-tolerance theorem) states that a quantum computer with a physical error rate below a certain threshold can, through application of quantum error correction schemes, suppress the logical error rate to arbitrarily low levels. This shows that quantum computers can be made fault-tolerant, as an analogue to von Neumann's threshold theorem for classical computation.
Finite difference methodIn numerical analysis, finite-difference methods (FDM) are a class of numerical techniques for solving differential equations by approximating derivatives with finite differences. Both the spatial domain and time interval (if applicable) are discretized, or broken into a finite number of steps, and the value of the solution at these discrete points is approximated by solving algebraic equations containing finite differences and values from nearby points.
Shor's algorithmShor's algorithm is a quantum algorithm for finding the prime factors of an integer. It was developed in 1994 by the American mathematician Peter Shor. It is one of the few known quantum algorithms with compelling potential applications and strong evidence of superpolynomial speedup compared to best known classical (that is, non-quantum) algorithms. On the other hand, factoring numbers of practical significance requires far more qubits than available in the near future.
Test methodA test method is a method for a test in science or engineering, such as a physical test, chemical test, or statistical test. It is a definitive procedure that produces a test result. In order to ensure accurate and relevant test results, a test method should be "explicit, unambiguous, and experimentally feasible.", as well as effective and reproducible. A test can be considered an observation or experiment that determines one or more characteristics of a given sample, product, process, or service.
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.
Kinetic isotope effectIn physical organic chemistry, a kinetic isotope effect (KIE) is the change in the reaction rate of a chemical reaction when one of the atoms in the reactants is replaced by one of its isotopes. Formally, it is the ratio of rate constants for the reactions involving the light (kL) and the heavy (kH) isotopically substituted reactants (isotopologues): This change in reaction rate is a quantum mechanical effect that primarily results from heavier isotopologues having lower vibrational frequencies compared to their lighter counterparts.
Chemical reactionA chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the positions of electrons in the forming and breaking of chemical bonds between atoms, with no change to the nuclei (no change to the elements present), and can often be described by a chemical equation. Nuclear chemistry is a sub-discipline of chemistry that involves the chemical reactions of unstable and radioactive elements where both electronic and nuclear changes can occur.
Classical limitThe classical limit or correspondence limit is the ability of a physical theory to approximate or "recover" classical mechanics when considered over special values of its parameters. The classical limit is used with physical theories that predict non-classical behavior. A heuristic postulate called the correspondence principle was introduced to quantum theory by Niels Bohr: in effect it states that some kind of continuity argument should apply to the classical limit of quantum systems as the value of the Planck constant normalized by the action of these systems becomes very small.
Finite element methodThe finite element method (FEM) is a popular method for numerically solving differential equations arising in engineering and mathematical modeling. Typical problem areas of interest include the traditional fields of structural analysis, heat transfer, fluid flow, mass transport, and electromagnetic potential. The FEM is a general numerical method for solving partial differential equations in two or three space variables (i.e., some boundary value problems).
WKB approximationIn mathematical physics, the WKB approximation or WKB method is a method for finding approximate solutions to linear differential equations with spatially varying coefficients. It is typically used for a semiclassical calculation in quantum mechanics in which the wavefunction is recast as an exponential function, semiclassically expanded, and then either the amplitude or the phase is taken to be changing slowly. The name is an initialism for Wentzel–Kramers–Brillouin. It is also known as the LG or Liouville–Green method.
