QMLMaterial

Maicon Pierre Lourenço1, Lizandra Barrios Herrera2, Jiří Hostaš2

  • 1Departamento de Química e Física─Centro de Ciências Exatas, Naturais e da Saúde─CCENS─Universidade Federal do Espírito Santo, Alegre, Espírito Santo 29500-000, Brasil.

概括

这项研究介绍了QMLMaterial,这是一种用于通过使用量子机器学习预测最佳结构来加速材料发现的AI工具. 它有效地为各种系统探索广的化学空间,降低计算成本.

相关概念视频

Quantum Numbers02:43

Quantum Numbers

It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
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The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
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Machines: Problem Solving II01:30

Machines: Problem Solving II

Machines are complex structures consisting of movable, pin-connected multi-force members that work together to transmit forces. Consider a lifting tong carrying a 100 kg load. It comprises movable sections DAF and CBG linked together with member AB.
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