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High-fidelity data (HiFi) includes data that was produced by a person or Stochastic Process that closely matches the operational context of interest. For example, in wing design optimization, high-fidelity data uses physical models in simulation that produce results that closely match the wing in a similar real-world setting. [5]
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
A live simulation, by definition represents the highest fidelity, since it is reality. But a simulation quickly becomes more difficult when it is created from various live, virtual and constructive elements, or sets of simulations with various network protocols, where each simulation consists of a set of live, virtual and constructive elements.
A molecular dynamics simulation requires the definition of a potential function, or a description of the terms by which the particles in the simulation will interact. In chemistry and biology this is usually referred to as a force field and in materials physics as an interatomic potential.
In computational chemistry, a solvent model is a computational method that accounts for the behavior of solvated condensed phases. [1] [2] [3] Solvent models enable simulations and thermodynamic calculations applicable to reactions and processes which take place in solution.
A major obstacle was the poor definition of atomic charges in molecular models, especially for inorganic compounds, due to reliance on quantum chemistry calculations and partitioning methods that may be suitable for field-based but not for point-based charge distributions necessary in force fields.
Modeling, interoperable simulation and serious games is where serious game approaches (e.g. game engines and engagement methods) are integrated with interoperable simulation. [16] Simulation fidelity is used to describe the accuracy of a simulation and how closely it imitates the real-life counterpart. Fidelity is broadly classified as one of ...
Scientific modelling is an activity that produces models representing empirical objects, phenomena, and physical processes, to make a particular part or feature of the world easier to understand, define, quantify, visualize, or simulate.