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精确计算原子间力与神经网络基于生成式变压器架构的神经网络

Juntao Lai1,2, Bowen Kan3, Yangjun Wu3

  • 1School of Future Technology, University of Science and Technology of China, Hefei 230026, China.

Journal of chemical theory and computation
|October 23, 2024
PubMed
概括

本研究介绍了QiankunNet,这是一个深度学习平台,用于量子化学中准确的原子间力计算. 它可以精确模拟分子动力学和化学反应,在计算化学中推进人工智能.

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Transformers in Distribution System01:27

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Transformers in distribution systems can be broadly categorized into distribution substation transformers and other distribution transformers. They are crucial for stepping down high transmission voltages to levels suitable for distribution and end-user applications.
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The Ideal Transformer01:26

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In single-phase two-winding transformers, two windings are coiled around a magnetic core characterized by cross-sectional area A and magnetic permeability μ. A phasor current i1 enters the left winding while i2 exits the right winding, establishing the fundamental working of the transformer through electromagnetic principles.
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In scenarios involving parallel transformers with disparate ratings, developing per-unit models requires accommodating off-nominal turns ratios. This situation arises when the selected base voltages are not proportional to the transformer’s voltage ratings. Consider a transformer where the rated voltages are related by the term a. If the chosen voltage bases satisfy a relationship involving term b, term c is defined as the ratio of these bases. This ratio is then substituted into the...
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Three-Dimensional Force System01:30

Three-Dimensional Force System

In mechanical engineering, a three-dimensional force system is a system of forces acting in three dimensions, with forces applied along the x, y, and z coordinate axes. The three-dimensional force system is an important concept in mechanical engineering, as it allows engineers to understand and analyze the behavior of objects and structures in three dimensions. By understanding the forces acting on a system, engineers can design more efficient and effective mechanical systems that can withstand...
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In an ideal transformer, it is assumed that there are no energy losses, and, hence, all the power at the primary winding is transferred to the secondary winding. However, in reality,  the transformers always have some energy losses, and, hence, the output power obtained at the secondary winding is less than the input power at the primary winding due to energy losses.
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