Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Ampere-Maxwell's Law: Problem-Solving01:17

Ampere-Maxwell's Law: Problem-Solving

1.1K
A parallel-plate capacitor with capacitance C, whose plates have area A and separation distance d, is connected to a resistor R and a battery of voltage V. The current starts to flow at t = 0. What is the displacement current between the capacitor plates at time t? From the properties of the capacitor, what is the corresponding real current?
To solve the problem, we can use the equations from the analysis of an RC circuit and Maxwell's version of Ampère's law.
For the first part of the...
1.1K
Continuous Charge Distributions01:17

Continuous Charge Distributions

7.9K
Imagine a bucket of water. It contains many molecules, of the order of 1026 molecules. Thus, although it contains discrete elements (molecules) at the microscopic level, macroscopically, it can be considered continuous. Small volume elements of water, infinitesimal compared to the bulk of the bucket's volume, still contain many molecules. Under this framework, quantized matter is approximated as continuous for practical purposes.
The electric charge can also be subjected to an analogical...
7.9K
Accelerating Fluids01:17

Accelerating Fluids

2.2K
When a fluid is in constant acceleration, the pressure and buoyant force equations are modified. Suppose a beaker is placed in an elevator accelerating upward with a constant acceleration, a. In the beaker, assume there is a thin cylinder of height h with an infinitesimal cross-sectional area, ΔS.
The motion of the liquid within this infinitesimal cylinder is considered to obtain the pressure difference. Three vertical forces act on this liquid:
2.2K
Energy Associated With a Charge Distribution01:21

Energy Associated With a Charge Distribution

1.9K
The work done to bring a charge through a distance r is given by the potential difference between the initial and the final position. To assemble a collection of point charges, the total work done can be expressed in terms of the product of each pair of charges divided by their separation distance, defined with respect to a suitable origin. Solving this expression gives the energy stored in a point charge distribution.
1.9K
Coulomb's Law01:30

Coulomb's Law

11.4K
Experiments with electric charges have shown that if two objects each have an electric charge, they exert an electric force on each other. The magnitude of the force is linearly proportional to the net charge on each object and inversely proportional to the square of the distance between them. The direction of the force vector is along the imaginary line joining the two objects and is dictated by the signs of the charges involved.
Newton's third law applies to the Coulomb force — the...
11.4K
Thomson's e/m Experiment01:19

Thomson's e/m Experiment

6.5K
In a beam of charged particles created by a heated cathode, the particles move at different speeds. However, many applications need a beam with uniform particle speeds. An arrangement known as a velocity selector uses electric and magnetic fields to pick particles with a particular speed from the beam.
A particle with charge q, speed v, and mass m enters an area from the top, where the magnetic and electric fields are perpendicular both to the particle's motion and to one another. The magnetic...
6.5K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

GMFCC-UMA: A Fragment-Based Machine Learning Framework for Scalable Ab Initio-Quality Protein Energies.

Journal of chemical theory and computation·2026
Same author

A practical framework for rapid calculation of protein polarization energies with anisotropic atomic polarizabilities.

The Journal of chemical physics·2026
Same author

Accurate and Efficient Calculation of Protein-Ligand Interaction Energies Using an Electrostatically Embedded Fragmentation Method.

Journal of chemical theory and computation·2026
Same author

A Deep Learning-Augmented Density Functional Framework for Reaction Modeling with Chemical Accuracy.

JACS Au·2025
Same author

Data-Driven Parametrization of All-Atom Force Fields for Organic Semiconductors.

Journal of chemical information and modeling·2025
Same author

The Atomic Density-Based Tight-Binding (aTB) Model: A Robust and Accurate Semiempirical Method Parametrized for H-Ra; Applied to Structures, Vibrational Frequencies, Noncovalent Interactions, and Excited States.

Journal of chemical theory and computation·2025
Same journal

The Anionic States of Ubiquinone Characterized by Second-Order Approximate Coupled-Cluster Theory.

Journal of computational chemistry·2026
Same journal

Hydrogen Bond Energy Estimation in Large Molecular Clusters via the Method of Synergistic Cyclic Cooperativity: A Software Update H-BEE 2.0.

Journal of computational chemistry·2026
Same journal

The Intricate Mechanism of Nitric Oxide Synthase.

Journal of computational chemistry·2026
Same journal

A Molecular "Thermometer" for Measuring Effective Non-Local Exchange.

Journal of computational chemistry·2026
Same journal

Insights to Orientation Dependence of Molecular Conduction Modeled by High-Level Quantum Embedding.

Journal of computational chemistry·2026
Same journal

AutoSTOP-RT-TDDFT: Adaptive and Selected Real-Time Time-Dependent Density Functional Theory for Simulation of X-Ray Absorptions.

Journal of computational chemistry·2026
查看所有相关文章

相关实验视频

Updated: Jan 17, 2026

Characterization of Recombination Effects in a Liquid Ionization Chamber Used for the Dosimetry of a Radiosurgical Accelerator
07:31

Characterization of Recombination Effects in a Liquid Ionization Chamber Used for the Dosimetry of a Radiosurgical Accelerator

Published on: May 9, 2014

12.2K

通过密度调整加速RESP收费计算.

Huimin Zhang1,2, Yingfeng Zhang3

  • 1State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan, China.

Journal of computational chemistry
|September 18, 2025
PubMed
概括
此摘要是机器生成的。

密度调整MEP (DF-MEP) 加快了限制电静电位 (RESP) 电荷计算. DF-RESP 保持了分子模拟的精度,为大型生物分子系统提供了显著的加速度.

关键词:
这是DF-RESP.密度适应器适应密度适应器受到限制的静电电位.

更多相关视频

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

27.5K
Blast Quantification Using Hopkinson Pressure Bars
09:41

Blast Quantification Using Hopkinson Pressure Bars

Published on: July 5, 2016

9.4K

相关实验视频

Last Updated: Jan 17, 2026

Characterization of Recombination Effects in a Liquid Ionization Chamber Used for the Dosimetry of a Radiosurgical Accelerator
07:31

Characterization of Recombination Effects in a Liquid Ionization Chamber Used for the Dosimetry of a Radiosurgical Accelerator

Published on: May 9, 2014

12.2K
Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
14:11

Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis

Published on: March 29, 2016

27.5K
Blast Quantification Using Hopkinson Pressure Bars
09:41

Blast Quantification Using Hopkinson Pressure Bars

Published on: July 5, 2016

9.4K

科学领域:

  • 计算化学计算化学
  • 分子建模分子建模
  • 生物物理学的生物物理.

背景情况:

  • 限制电静电位 (RESP) 对于分子模拟至关重要.
  • 传统RESP的高计算成本限制了其在大型系统中的使用.
  • 分子静电电位 (MEP) 采样是计算密集的.

研究的目的:

  • 开发一种计算效率高的RESP费用推导方法.
  • 为了保持RESP计算的大规模生物分子模拟的准确性.
  • 用一种新的方法加速分子模拟.

主要方法:

  • 组合密度适配MEP (DF-MEP) 与RESP收费导数 (DF-RESP) 结合使用.
  • 使用S22基准和静电相互作用能量评估准确性.
  • 评估了对雄激素受体-配体复合体和蛋白质动态的性能.

主要成果:

  • DF-RESP在0.003e (S22基准) 以下的负载中实现了MAE的高精度.
  • 静电相互作用能量偏差在0.1kcal/mol以下.
  • 对于1493个原子的蛋白质 (1h59),DF-RESP的速度提高了14倍,准确度也相当.

结论:

  • DF-RESP显著加快了RESP费用计算.
  • 该方法在分子模拟中保持了高精度.
  • DF-RESP是一种可靠和高效的方法,用于大规模的生物分子模拟.