Lecture

Materials Modelling: From Prediction to Design

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Description

This lecture delves into the world of materials modelling, exploring the prediction and design of material and molecular properties through computation. The instructor discusses the theoretical and computational strategies used to study structural and spectroscopic properties, as well as the impact of isotopic purification in 2D materials. The lecture also covers the prediction of defects, coherence time calculations, and quantum simulations on quantum computers.

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Related concepts (32)

Design

A design is a concept of either an object, a process, or a system that is specific and, in most cases, detailed. Design refers to something that is or has been intentionally created by a thinking agent, though it is sometimes used to refer to the nature of something. The verb to design expresses the process of developing a design. In some cases, the direct construction of an object without an explicit prior plan may also be considered to be a design (such as in some artwork and craftwork).

Congenital heart defect

A congenital heart defect (CHD), also known as a congenital heart anomaly, congenital cardiovascular malformation, and congenital heart disease, is a defect in the structure of the heart or great vessels that is present at birth. A congenital heart defect is classed as a cardiovascular disease. Signs and symptoms depend on the specific type of defect. Symptoms can vary from none to life-threatening. When present, symptoms are variable and may include rapid breathing, bluish skin (cyanosis), poor weight gain, and feeling tired.

Coherence (physics)

In physics, coherence expresses the potential for two waves to interfere. Two monochromatic beams from a single source always interfere. Physical sources are not strictly monochromatic: they may be partly coherent. Beams from different sources are mutually incoherent. When interfering, two waves add together to create a wave of greater amplitude than either one (constructive interference) or subtract from each other to create a wave of minima which may be zero (destructive interference), depending on their relative phase.

Ventricular septal defect

A ventricular septal defect (VSD) is a defect in the ventricular septum, the wall dividing the left and right ventricles of the heart. The extent of the opening may vary from pin size to complete absence of the ventricular septum, creating one common ventricle. The ventricular septum consists of an inferior muscular and superior membranous portion and is extensively innervated with conducting cardiomyocytes. The membranous portion, which is close to the atrioventricular node, is most commonly affected in adults and older children in the United States.

Quantum simulator

Quantum simulators permit the study of a quantum system in a programmable fashion. In this instance, simulators are special purpose devices designed to provide insight about specific physics problems. Quantum simulators may be contrasted with generally programmable "digital" quantum computers, which would be capable of solving a wider class of quantum problems. A universal quantum simulator is a quantum computer proposed by Yuri Manin in 1980 and Richard Feynman in 1982.

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