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Updated: Feb 4, 2026

Fine-tuning the Size and Minimizing the Noise of Solid-state Nanopores
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Fine-tuning the Size and Minimizing the Noise of Solid-state Nanopores

Published on: October 31, 2013

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从预先训练到精确:微调通用原子间潜能,用于精确的催化反应模拟

Jinzhe Ma1, Xiaoyan Fu1, Wenbo Xie1

  • 1School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China.

Journal of chemical theory and computation
|February 2, 2026
PubMed
概括

微调通用机器学习原子间潜力 (uMLIPs) 显著提高了催化反应预测的准确性. 这种方法需要更少的数据,并保留了概括性,使得UMLIP更适用于各种催化系统.

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Tuning the Acidity of Pt/ CNTs Catalysts for Hydrodeoxygenation of Diphenyl Ether09:21

Tuning the Acidity of Pt/ CNTs Catalysts for Hydrodeoxygenation of Diphenyl Ether

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Retropinacol/Cross-pinacol Coupling Reactions - A Catalytic Access to 1,2-Unsymmetrical Diols10:12

Retropinacol/Cross-pinacol Coupling Reactions - A Catalytic Access to 1,2-Unsymmetrical Diols

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相关概念视频

Uncertainty in Measurement: Accuracy and Precision03:37

Uncertainty in Measurement: Accuracy and Precision

Scientists typically make repeated measurements of a quantity to ensure the quality of their findings and to evaluate both the precision and the accuracy of their results. Measurements are said to be precise if they yield very similar results when repeated in the same manner. A measurement is considered accurate if it yields a result that is very close to the true or the accepted value. Precise values agree with each other; accurate values agree with a true value. 
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Fineness of Cement01:15

Fineness of Cement

The fineness of cement directly influences the rate of hydration, as the hydration begins at the surface of the cement particles. In addition to hydration, the fineness of cement is vital for various properties of concrete including workability, gypsum requirement, and long-term behavior. The fineness of cement is represented in terms of the specific surface of cement which is typically measured in square meters per kilogram, with several methods available for this determination.
Direct...
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Fineness Modulus01:19

Fineness Modulus

The fineness modulus (FM) of aggregate is a numerical index that measures the coarseness or fineness of the particles. It is calculated by adding the cumulative percentages of aggregate retained on each of a specified series of sieves and dividing the sum by 100.
Consider performing sieve analysis on sand through a set of ASTM sieves. The weight of aggregate retained in each sieve and pan placed at the bottom is recorded, as given in Column B of Table 1.
To determine the fineness modulus of...
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Turnover Number and Catalytic Efficiency01:19

Turnover Number and Catalytic Efficiency

The turnover number of an enzyme is the maximum number of substrate molecules it can transform per unit time. Turnover numbers for most enzymes range from 1 to 1000 molecules per second. Catalase has the known highest turnover number, capable of converting up to 2.8×106 molecules of hydrogen peroxide into water and oxygen per second. Lysozyme has the lowest known turnover number of half a molecule per second.
Chymotrypsin is a pancreatic enzyme that breaks down proteins during digestion....
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Catalytically Perfect Enzymes01:07

Catalytically Perfect Enzymes

The theory of catalytically perfect enzymes was first proposed by W.J. Albery and J. R. Knowles in 1976. These enzymes catalyze biochemical reactions at high-speed. Their catalytic efficiency values range from 108-109 M-1s-1. These enzymes are also called 'diffusion-controlled' as the only rate-limiting step in the catalysis is that of the substrate diffusion into the active site. Examples include triose phosphate isomerase, fumarase, and superoxide dismutase.
 
Most enzymes...
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Problem-Solving: Tuning of a Guitar String01:04

Problem-Solving: Tuning of a Guitar String

In the case of stringed instruments like the guitar, the elastic property that determines the speed of the sound produced is its linear mass density or the mass per unit length. This is simply called the linear density. If the string's linear density is constant along the string, then the linear density is simply the total mass divided by the total length.
The string's wave speed can be regulated by varying the linear density. Tension is the other property that determines the speed of...
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