Titlebook: Computational Multiscale Modeling of Fluids and Solids; Theory and Applicati Martin Oliver Steinhauser Textbook 2022Latest edition Springer

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Conventional Practical Superconductors,ods. In Sect.?. we look at the different forms of chemical bonding that play a role on a phenomenological level (above the scale of sub-atomic elementary particles). In Sects.?. and . we take a look at semi-empirical methods and the chapter ends with some concluding remarks in Sect.?..

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Superconductivity and Electromagnetismulations coupling the mesoscale with the macroscale. Section?. provides further examples for scale bridging applications between MD and FEM and in Sects.?. to . we discuss the continuum theory and elasticity theory which form the underlying mathematical basis for many computational approaches on the

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Fundamentals of?Numerical Simulation equations and how to solve them numerically. For this, we discuss the basics of ordinary and partial differential equations in Sect.?.. We learn about the Lipschitz condition for ordinary differential equations and about initial and boundary conditions with partial differential equations, where we

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Computational Methods on Electronic/Atomistic Scaledinger equation. In Sect.?. we shortly discuss some basics of quantum theory, the Hilbert space and the Born-Oppenheimer approximation, which separates the motion (i.e. the coordinates) of the heavy nuclei from the fast motion of the light electrons. We take a look at density functional theory in Se

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Computational Methods on?Atomistic/Microscopic Scalemental role. This is why after an introduction in Sect.?. we provide a short discussion of statistical physics and thermodynamics in Sect.?.. Classical interaction potentials (that may or may not be derived from quantum mechanical ab initio methods) are treated in Sect.?., which brings us to the imp