相关实验视频

Updated: Jun 17, 2025

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

Published on: April 12, 2019

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KeldyshQFT:用于实频多循环功能重规范化组和单不纯安德森模型的板块计算的C++代码库

Nepomuk Ritz1, Anxiang Ge1, Elias Walter1

  • 1Arnold Sommerfeld Center for Theoretical Physics, Center for NanoScience, and Munich Center for Quantum Science and Technology, Ludwig-Maximilians-Universität München, 80333 Munich, Germany.

The Journal of chemical physics
|August 7, 2024
PubMed
概括

我们介绍了一个计算框架,用于计算单不纯安德森模型中的动态相关函数. 这种先进的工具使用功能性重规范化组和方程方程来获得准确的真实频率结果.

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

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