Arnab Jana1, Sam Shepherd1, Yair Litman2

  • 1Centre for Quantum Materials and Technologies, School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, U.K.

概括

大量偏振的统计学学习模型面临由于不连续的原子位置的挑战. 本研究比较了两种方法,发现一种数据驱动的预处理方法有效用于在复杂系统和接口中准确的介电性质建模.

相关概念视频

Potential Due to a Polarized Object01:29

Potential Due to a Polarized Object

A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...
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Induced Electric Dipoles01:28

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Aqueous Solutions and Heats of Hydration

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