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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]
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.
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.
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 ]
Modeling and simulation are important in research. Representing the real systems either via physical reproductions at smaller scale, or via mathematical models that allow representing the dynamics of the system via simulation, allows exploring system behavior in an articulated way which is often either not possible, or too risky in the real world.
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. [1] The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies.
Major current themes in the field include uncertainty quantification and propagation throughout simulations for eventual decision making, data infrastructure for sharing simulation inputs and results, [4] high-throughput materials design and discovery, [5] and new approaches given significant increases in computing power and the continuing ...
A validation space ("reality") represents the fine model, for example, a high-fidelity physics model. The optimization space, where conventional optimization is carried out, incorporates the coarse model (or surrogate model), for example, the low-fidelity physics or "knowledge" model. In a space-mapping design optimization phase, there is a ...