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

High-Performance Liquid Chromatography: Introduction01:11

High-Performance Liquid Chromatography: Introduction

2.1K
High-performance liquid chromatography(HPLC), formerly referred to as High-pressure liquid chromatography, is a powerful technique used to separate, identify, and quantify components in complex mixtures. The term "high pressure" refers to using high pressure to push the liquid mobile phase through the tightly packed columns.
In HPLC, two phases play a critical role in the separation process:
2.1K

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

A scalable diagonalization framework for tensor-product bitstring selected configuration interaction.

The Journal of chemical physics·2026
Same author

Noncovalent Mg···N Interactions as Tunable Electronic Perturbations in Pyridine-Based Single-Molecule Junctions.

The journal of physical chemistry. A·2026
Same author

Electronic Transmission Signatures of Hydrogen-Bond Topology in Model Antiparallel β-Sheet Segments.

The journal of physical chemistry. A·2026
Same author

VENUSpy: A Chemical Dynamics Simulation Program in the Era of Machine Learning and Exascale Computing.

Journal of chemical theory and computation·2025
Same author

Chemist: A Domain-Specific Language by Chemists for Chemists.

The journal of physical chemistry. A·2025
Same author

Theoretical Study of 1s, 2s, and 2p Core Electron Binding Energies of Third-Period Elements Calculated by the ΔSCF Method, Koopmans' Theorem, and Slater's Transition State Theory within the Framework of Hartree-Fock and Kohn-Sham Theory.

The journal of physical chemistry. A·2025
Same journal

A data-driven modeling study on the accurate identification of Doppler-free saturated absorption spectra in diatomic tellurium (130Te2).

The Journal of chemical physics·2026
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026
Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026
Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026
查看所有相关文章

相关实验视频

Updated: Jul 9, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.2K

化学物理中的高性能计算专题.

Tjerk P Straatsma1,2, Theresa L Windus3,4, Takahito Nakajima5

  • 1National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6373, USA.

The Journal of chemical physics
|December 1, 2023
PubMed
概括
此摘要是机器生成的。

计算机建模和模拟对于化学,生物分子和材料研究至关重要. 计算能力和方法的进步使我们能够在现实的环境中获得原子级的洞察力,超越实验准确性.

更多相关视频

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K
High-resolution Single Particle Analysis from Electron Cryo-microscopy Images Using SPHIRE
13:28

High-resolution Single Particle Analysis from Electron Cryo-microscopy Images Using SPHIRE

Published on: May 16, 2017

50.4K

相关实验视频

Last Updated: Jul 9, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.2K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K
High-resolution Single Particle Analysis from Electron Cryo-microscopy Images Using SPHIRE
13:28

High-resolution Single Particle Analysis from Electron Cryo-microscopy Images Using SPHIRE

Published on: May 16, 2017

50.4K

科学领域:

  • 计算化学是一种计算化学.
  • 生物分子建模模型
  • 材料科学是一种材料科学.

背景情况:

  • 计算建模和模拟是跨科学学科的重要工具.
  • 传统方法在提供原子级细节方面经常面临局限性.
  • 最近在计算硬件和软件方面的进步显著提高了计算能力.

研究的目的:

  • 突出计算建模和仿真不可或缺的作用.
  • 为了强调计算提供独特的原子级洞察力的能力.
  • 展示计算方法日益增长的现实主义和准确性.

主要方法:

  • 利用先进的计算机架构,从超级计算机到台式机.
  • 开发新的计算领域科学方法.
  • 实施新的编程模型和技术.

主要成果:

  • 通过其他方式无法获得的原子级信息.
  • 在日益现实的化学环境中实现模拟.
  • 产生与实验化学准确度相比或超过准确度的结果.

结论:

  • 计算机建模和模拟现在是必不可少的,强大的工具.
  • 这些方法提供了前所未有的原子级细节和环境现实主义.
  • 硬件和软件进步的协同作用推动了科学发现.