Lecture review | Random structural search method and material science

In order to help school teachers and students understand the richer academic cutting-edge information and get more opportunities to communicate with experts and scholars, Guangdong Israel Institute of Technology launched the "GuangDong-Technion Leading Lecture", which brings wonderful academic academics to teachers and students feast.

Recently, Chris Pickard, a professor at the Department of Metallurgical and Metallurgical of Cambridge University, brought two lectures to teachers and students, and shared his research experience in the field of material science from the perspective of science and academics.

Popular science lecture: research theory of extreme materials

Many engineering applications need to be able to operate under extreme temperature, pressure or corrosion conditions. Therefore, in -depth research on the nature of materials, and seeking new materials that can better adapt to these harsh environments have become a topic that contemporary science needs to be solved. Extreme materials, letting humans take the moon for nine days is not a daydream.

Shantou Jinshan Middle School Student Online Watch Lecture

This lecture mainly introduces Caster code and random structure search (AIRSS) method. The method of using quantum mechanics to create realistic material attributes from the first principle creates a steady and efficient and widely used computer code -Caster code. Professor Chris Pickard introduced: "Using density general letter theory, the Caster code can simulate the various unique properties of the material, including energy science, atomic structure, vibration nature, electronic response nature, etc."

AIRSS is a very simple but powerful and highly parallel structural prediction method. "AIRSS has been used in many milestone research in structural prediction, including predicting the structure of SIH4 under pressure, understanding the theoretical structure of dense hydrogen (predicting mixed phase IV), and understanding the dismissions of aluminum under the pressure of Tai Pascar. The phase, and the ammonia ion phase. As the explosive growth of computing resources, these methods make it possible to explore atomic composition and arrangement of extreme characteristics in arrangement. "Professor Christ Pickard said.

Scientific lecture: complex chemical ingredients of dense substances

"The structure of the new material in the universe may be more fascinated by the structure of the diamond because they are unknown. This is the original intention of my entering the field of materials science." Professor Christ Pickard's tone is calm but extremely firm. The first principle and high -voltage chemical theory for structural prediction provides strong tools for exploring dense substances. It is precisely because most of the substances in the universe are likely to exist in more complicated mixtures that structural prediction methods represented by AIRSS help humans to discover new substances and better explore the universe. Professor Chris Pickard emphasized: "The key to discovering extreme characteristics of extreme characteristics is to improve the ability of humans to screen various compounds, which once again illustrates the importance of AIRSS."

When looking forward to the future development direction of materials science, Professor Chris Pickard said: "In the future, the research on composite materials will become more and more common, but this process will be full of challenges. AIIRSS technology will make data visualization, and the visualization of data will become more. The more important, this will provide great help to material research. "

Reporter's note

If we are destined to be baptized on the road of far away, it is destined to be baptized, not so much that we need a coat that can resist the extreme environment. At the beginning, Bingqing Yujie looks like a lotus lotus, full of hope like the pecking swallow.

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