Computational physics is the study and implementation of numerical analysis to solve problems in physics. Historically, computational physics was the first application of modern computers in science, and is now a subset of computational science. It is sometimes regarded as a subdiscipline of theoretical physics, but others consider it an intermediate branch between theoretical and experimental physics — an area of study which supplements both theory and experiment.
Scientific visualization is an interdisciplinary branch of science concerned with the visualization of scientific phenomena. It is also considered a subset of computer graphics, a branch of computer science. The purpose of scientific visualization is to graphically illustrate scientific data to enable scientists to understand, illustrate, and glean insight from their data. Research into how people read and misread various types of visualizations is helping to determine what types and features of visualizations are most understandable and effective in conveying information.
In plasma physics, the particle-in-cell (PIC) method refers to a technique used to solve a certain class of partial differential equations. In this method, individual particles in a Lagrangian frame are tracked in continuous phase space, whereas moments of the distribution such as densities and currents are computed simultaneously on Eulerian (stationary) mesh points.
A chemical file format is a type of data file which is used specifically for depicting molecular data. One of the most widely used is the chemical table file format, which is similar to Structure Data Format (SDF) files. They are text files that represent multiple chemical structure records and associated data fields. The XYZ file format is a simple format that usually gives the number of atoms in the first line, a comment on the second, followed by a number of lines with atomic symbols and cartesian coordinates. The Protein Data Bank Format is commonly used for proteins but is also used for other types of molecules. There are many other types which are detailed below. Various software systems are available to convert from one format to another.
BALL is a C++ class framework and set of algorithms and data structures for molecular modelling and computational structural bioinformatics, a Python interface to this library, and a graphical user interface to BALL, the molecule viewer BALLView.
Computational Engineering is an emerging discipline that deals with the development and application of computational models for engineering, known as Computational Engineering Models or CEM. Computational engineering uses computers to solve engineering design problems important to a variety of industries. At this time, various different approaches are summarized under the term Computational Engineering, including using computational geometry and virtual design for engineering tasks, often coupled with a simulation-driven approach In Computational Engineering, algorithms solve mathematical and logical models that describe engineering challenges, sometimes coupled with some aspect of AI, specifically Reinforcement Learning.
Plasma modeling refers to solving equations of motion that describe the state of a plasma. It is generally coupled with Maxwell's equations for electromagnetic fields or Poisson's equation for electrostatic fields. There are several main types of plasma models: single particle, kinetic, fluid, hybrid kinetic/fluid, gyrokinetic and as system of many particles.
ParaView is an open-source multiple-platform application for interactive, scientific visualization. It has a client–server architecture to facilitate remote visualization of datasets, and generates level of detail (LOD) models to maintain interactive frame rates for large datasets. It is an application built on top of the Visualization Toolkit (VTK) libraries. ParaView is an application designed for data parallelism on shared-memory or distributed-memory multicomputers and clusters. It can also be run as a single-computer application.
Abaqus FEA is a software suite for finite element analysis and computer-aided engineering, originally released in 1978. The name and logo of this software are based on the abacus calculation tool. The Abaqus product suite consists of five core software products:
- Abaqus/CAE, or "Complete Abaqus Environment". It is a software application used for both the modeling and analysis of mechanical components and assemblies (pre-processing) and visualizing the finite element analysis result. A subset of Abaqus/CAE including only the post-processing module can be launched independently in the Abaqus/Viewer product.
- Abaqus/Standard, a general-purpose Finite-Element analyzer that employs implicit integration scheme (traditional).
- Abaqus/Explicit, a special-purpose Finite-Element analyzer that employs explicit integration scheme to solve highly nonlinear systems with many complex contacts under transient loads.
- Abaqus/CFD, a Computational Fluid Dynamics software application which provides advanced computational fluid dynamics capabilities with extensive support for preprocessing and postprocessing provided in Abaqus/CAE - discontinued in Abaqus 2017 and further releases.
- Abaqus/Electromagnetic, a Computational electromagnetics software application which solves advanced computational electromagnetic problems.
VisIt is an open-source, interactive parallel visualization, and graphical analysis tool designed for viewing scientific data. It can visualize scalar and vector fields on 2D and 3D structured and unstructured meshes.
nanoHUB.org is a science and engineering gateway comprising community-contributed resources and geared toward education, professional networking, and interactive simulation tools for nanotechnology. Funded by the United States National Science Foundation (NSF), it is a product of the Network for Computational Nanotechnology (NCN). NCN supports research efforts in nanoelectronics; nanomaterials; nanoelectromechanical systems (NEMS); nanofluidics; nanomedicine, nanobiology; and nanophotonics.
Simulation Open Framework Architecture (SOFA) is an open source framework primarily targeted at real-time physical simulation, with an emphasis on medical simulation.
Quantemol Ltd is based in University College London initiated by Professor Jonathan Tennyson FRS and Dr. Daniel Brown in 2004. The company initially developed a unique software tool, Quantemol-N, which provides full accessibility to the highly sophisticated UK molecular R-matrix codes, used to model electron polyatomic molecule interactions. Since then Quantemol has widened to further types of simulation, with plasmas and industrial plasma tools, in Quantemol-VT in 2013 and launched in 2016 a sustainable database Quantemol-DB, representing the chemical and radiative transport properties of a wide range of plasmas.
Simcenter Amesim is a commercial simulation software for the modeling and analysis of multi-domain systems. It is part of systems engineering domain and falls into the mechatronic engineering field.
Physically based animation is an area of interest within computer graphics concerned with the simulation of physically plausible behaviors at interactive rates. Advances in physically based animation are often motivated by the need to include complex, physically inspired behaviors in video games, interactive simulations, and movies. Although off-line simulation methods exist to solve most all of the problems studied in physically-based animation, these methods are intended for applications that necessitate physical accuracy and slow, detailed computations. In contrast to methods common in offline simulation, techniques in physically based animation are concerned with physical plausibility, numerical stability, and visual appeal over physical accuracy. Physically based animation is often limited to loose approximations of physical behaviors because of the strict time constraints imposed by interactive applications. The target frame rate for interactive applications such as games and simulations is often 25-60 hertz, with only a small fraction of the time allotted to an individual frame remaining for physical simulation. Simplified models of physical behaviors are generally preferred if they are more efficient, easier to accelerate, or satisfy desirable mathematical properties. Fine details are not important when the overriding goal of a visualization is aesthetic appeal or the maintenance of player immersion since these details are often difficult for humans to notice or are otherwise impossible to distinguish at human scales.
A charged particle accelerator is a complex machine that takes elementary charged particles and accelerates them to very high energies. Accelerator physics is a field of physics encompassing all the aspects required to design and operate the equipment and to understand the resulting dynamics of the charged particles. There are software packages associated with each domain. The 1990 edition of the Los Alamos Accelerator Code Group's compendium provides summaries of more than 200 codes. Certain codes are still in use today, although many are obsolete. Another index of existing and historical accelerator simulation codes is located at the CERN CARE/HHH website.
In the design and analysis of algorithms for combinatorial optimization, parametric search is a technique invented by Nimrod Megiddo for transforming a decision algorithm into an optimization algorithm. It is frequently used for solving optimization problems in computational geometry.
FEATool Multiphysics is a physics, finite element analysis (FEA), and partial differential equation (PDE) simulation toolbox. FEATool Multiphysics features the ability to model fully coupled heat transfer, fluid dynamics, chemical engineering, structural mechanics, fluid-structure interaction (FSI), electromagnetics, as well as user-defined and custom PDE problems in 1D, 2D (axisymmetry), or 3D, all within a graphical user interface (GUI) or optionally as script files. FEATool has been employed and used in academic research, teaching, and industrial engineering simulation contexts.
