Molecular dynamicsMolecular 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.
Computational scienceComputational science, also known as scientific computing, technical computing or scientific computation (SC), is a division of science that uses advanced computing capabilities to understand and solve complex physical problems. This includes Algorithms (numerical and non-numerical): mathematical models, computational models, and computer simulations developed to solve sciences (e.
Computational biologyComputational biology refers to the use of data analysis, mathematical modeling and computational simulations to understand biological systems and relationships. An intersection of computer science, biology, and big data, the field also has foundations in applied mathematics, chemistry, and genetics. It differs from biological computing, a subfield of computer engineering which uses bioengineering to build computers. Bioinformatics, the analysis of informatics processes in biological systems, began in the early 1970s.
Computer simulationComputer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics (computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering.
Monte Carlo methodMonte 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. They are often used in physical and mathematical problems and are most useful when it is difficult or impossible to use other approaches. Monte Carlo methods are mainly used in three problem classes: optimization, numerical integration, and generating draws from a probability distribution.
System of linear equationsIn mathematics, a system of linear equations (or linear system) is a collection of one or more linear equations involving the same variables. For example, is a system of three equations in the three variables x, y, z. A solution to a linear system is an assignment of values to the variables such that all the equations are simultaneously satisfied. A solution to the system above is given by the ordered triple since it makes all three equations valid. The word "system" indicates that the equations should be considered collectively, rather than individually.
Lattice model (physics)In mathematical physics, a lattice model is a mathematical model of a physical system that is defined on a lattice, as opposed to a continuum, such as the continuum of space or spacetime. Lattice models originally occurred in the context of condensed matter physics, where the atoms of a crystal automatically form a lattice. Currently, lattice models are quite popular in theoretical physics, for many reasons. Some models are exactly solvable, and thus offer insight into physics beyond what can be learned from perturbation theory.
Lattice QCDLattice 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. Analytic or perturbative solutions in low-energy QCD are hard or impossible to obtain due to the highly nonlinear nature of the strong force and the large coupling constant at low energies.
AstrophysicsAstrophysics is a science that employs the methods and principles of physics and chemistry in the study of astronomical objects and phenomena. As one of the founders of the discipline, James Keeler, said, Astrophysics "seeks to ascertain the nature of the heavenly bodies, rather than their positions or motions in space–what they are, rather than where they are." Among the subjects studied are the Sun (solar physics), other stars, galaxies, extrasolar planets, the interstellar medium and the cosmic microwave background.
Lattice field theoryIn physics, lattice field theory is the study of lattice models of quantum field theory, that is, of field theory on a space or spacetime that has been discretised onto a lattice. Although most lattice field theories are not exactly solvable, they are of tremendous appeal because they can be studied by simulation on a computer, often using Markov chain Monte Carlo methods. One hopes that, by performing simulations on larger and larger lattices, while making the lattice spacing smaller and smaller, one will be able to recover the behavior of the continuum theory as the continuum limit is approached.
