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The following timeline starts with the invention of the modern computer in the late interwar period.
| This article has multiple issues. Please help improve it or discuss these issues on the talk page . (Learn how and when to remove these messages)
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The following timeline starts with the invention of the modern computer in the late interwar period.
Stanisław Marcin Ulam was a Polish mathematician, nuclear physicist and computer scientist. He participated in the Manhattan Project, originated the Teller–Ulam design of thermonuclear weapons, discovered the concept of the cellular automaton, invented the Monte Carlo method of computation, and suggested nuclear pulse propulsion. In pure and applied mathematics, he proved a number of theorems and proposed several conjectures.
Monte Carlo methods, or Monte Carlo experiments, are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results. The underlying concept is to use randomness to solve problems that might be deterministic in principle. The name comes from the Monte Carlo Casino in Monaco, where the primary developer of the method, mathematician Stanisław Ulam, was inspired by his uncle's gambling habits.
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The method is applied mostly in chemical physics, materials science, and biophysics.
Nicholas Constantine Metropolis was a Greek-American physicist.
In physics, lattice gauge theory is the study of gauge theories on a spacetime that has been discretized into a lattice.
Lattice QCD is a well-established non-perturbative approach to solving the quantum chromodynamics (QCD) theory of quarks and gluons. It is a lattice gauge theory formulated on a grid or lattice of points in space and time. When the size of the lattice is taken infinitely large and its sites infinitesimally close to each other, the continuum QCD is recovered.
Quantum Monte Carlo encompasses a large family of computational methods whose common aim is the study of complex quantum systems. One of the major goals of these approaches is to provide a reliable solution of the quantum many-body problem. The diverse flavors of quantum Monte Carlo approaches all share the common use of the Monte Carlo method to handle the multi-dimensional integrals that arise in the different formulations of the many-body problem.
In physics, the Fermi–Pasta–Ulam–Tsingou (FPUT) problem or formerly the Fermi–Pasta–Ulam problem was the apparent paradox in chaos theory that many complicated enough physical systems exhibited almost exactly periodic behavior – called Fermi–Pasta–Ulam–Tsingou recurrence – instead of the expected ergodic behavior. This came as a surprise, as Enrico Fermi, certainly, expected the system to thermalize in a fairly short time. That is, it was expected for all vibrational modes to eventually appear with equal strength, as per the equipartition theorem, or, more generally, the ergodic hypothesis. Yet here was a system that appeared to evade the ergodic hypothesis. Although the recurrence is easily observed, it eventually became apparent that over much, much longer time periods, the system does eventually thermalize. Multiple competing theories have been proposed to explain the behavior of the system, and it remains a topic of active research.
The Monte Carlo trolley, or FERMIAC, was an analog computer invented by physicist Enrico Fermi to aid in his studies of neutron transport.
Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics or the computational chemistry software package used to implement this method.
In applied mathematics, the numerical sign problem is the problem of numerically evaluating the integral of a highly oscillatory function of a large number of variables. Numerical methods fail because of the near-cancellation of the positive and negative contributions to the integral. Each has to be integrated to very high precision in order for their difference to be obtained with useful accuracy.
David James Edward Callaway is a biological nanophysicist in the New York University School of Medicine, where he is professor and laboratory director. He was trained as a theoretical physicist by Richard Feynman, Kip Thorne, and Cosmas Zachos, and was previously an associate professor at the Rockefeller University after positions at CERN and Los Alamos National Laboratory. Callaway's laboratory discovered potential therapeutics for Alzheimer's disease based upon apomorphine after an earlier paper of his developed models of Alzheimer amyloid formation. He has also initiated the study of protein domain dynamics by neutron spin echo spectroscopy, providing a way to observe protein nanomachines in motion.
Aneesur Rahman was an Indian-born American physicist who pioneered the application of computational methods to physical systems. His 1964 paper on liquid argon studied a system of 864 argon atoms on a CDC 3600 computer, using a Lennard-Jones potential. His algorithms still form the basis for many codes written today. Moreover, he worked on a wide variety of problems, such as the microcanonical ensemble approach to lattice gauge theory, which he invented with David J E Callaway.
The Wolff algorithm, named after Ulli Wolff, is an algorithm for Monte Carlo simulation of the Ising model and Potts model in which the unit to be flipped is not a single spin but a cluster of them. This cluster is defined as the set of connected spins sharing the same spin states, based on the Fortuin-Kasteleyn representation.
Franz Joachim Wegner is emeritus professor for theoretical physics at the University of Heidelberg.
The following is a timeline of scientific computing, also known as computational science.
The following is a timeline of numerical analysis after 1945, and deals with developments after the invention of the modern electronic computer, which began during Second World War. For a fuller history of the subject before this period, see timeline and history of mathematics.
This is a timeline of key developments in computational mathematics.
The KBD algorithm is a cluster update algorithm designed for the fully frustrated Ising model in two dimensions, or more generally any two dimensional spin glass with frustrated plaquettes arranged in a checkered pattern. It is discovered in 1990 by Daniel Kandel, Radel Ben-Av, and Eytan Domany, and generalized by P. D. Coddington and L. Han in 1994. It is the inspiration for cluster algorithms used in quantum monte carlo simulations.
Replica cluster move in condensed matter physics refers to a family of non-local cluster algorithms used to simulate spin glasses. It is an extension of the Swendsen-Wang algorithm in that it generates non-trivial spin clusters informed by the interaction states on two replicas instead of just one. It is different from the replica exchange method, as it performs a non-local update on a fraction of the sites between the two replicas at the same temperature, while parallel tempering directly exchanges all the spins between two replicas at different temperature. However, the two are often used alongside to achieve state-of-the-art efficiency in simulating spin-glass models.
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