Waiting
登录处理中...

Trial ends in Request Full Access Tell Your Colleague About Jove
Journal / Chemistry / 使用 UMD 软件包分析 Ab Initio…
JoVE Journal
Chemistry

这篇 内容 是免费权限的.

JoVE Journal Chemistry
使用 UMD 软件包分析 Ab Initio 分子动力学模拟中的熔体和流体
A Technique to Functionalize and Self-assemble Macroscopic Nanoparticle-ligand Monolayer Films onto Template-free Substrates
Journal (Chemistry)
A Technique to Functionalize and Self-assemble Macroscopic Nanoparticle-ligand Monolayer Films onto Template-free Substrates
Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements
Journal (Chemistry)
Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements
 
Click here for the English version

使用 UMD 软件包分析 Ab Initio 分子动力学模拟中的熔体和流体

Article DOI: 10.3791/61534-v • 06:37 min • September 17th, 2021
September 17th, 2021 •
1,2, 1, 1, 1, 1,3, 1,2
1Ecole Normale Supérieure de Lyon, Laboratory of Geology of Lyon UMR5276, CNRS, 2Centre for Earth Evolution and Dynamics (CEED), University of Oslo, 3CEA, DAM, DIF

章节

总结概括
Automatic Translation

Please note that all translations are automatically generated.

Click here for the English version.

熔体和流体是自然系统中无处不在的质量传递载体。我们开发了一个开源软件包来分析此类系统的分子动力学模拟。我们计算结构（键合，聚类，化学形态），传递（扩散，粘度）和热力学性质（振动光谱）。

Tags

化学， 第175期， 液体， 从开始， 分子动力学， 无序系统， 动力学理论， 扩散， 物种形成， 自相关， 热力学
Read Article

Get cutting-edge science videos from JoVE sent straight to your inbox every month.

Waiting X
Simple Hit Counter