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We found Websites Listing below when search with hefei-namd.org on Search Engine

GitHub - QijingZheng/Hefei-NAMD: ab-initio …

Web Nov 11, 2021 · Hefei-NAMD ab-initio nonadiabatic molecular dynamics program

Github.com

Qijing Zheng

Web Mar 17, 2021 · Hefei-NAMD Training. In this training session, we will learn how to do an NAMD calculation using Hefei-NAMD. Outline of the session: A bit of theory Installation …

Qijingzheng.github.io

Nat. Comput. Sci.：中国科大发展基于第一性原理的动 …

Web Jun 2, 2023 · 中国科学技术大学物理学院，合肥微尺度物质科学国家研究中心国际功能材料量子设计中心，合肥国家实验室赵瑾教授、郑奇靖副教授在自主知识产权的计算软 …

Phys.ustc.edu.cn

NAMD in Momentum Space (Hefei-NAMD-EPC) - GitHub

Web NAMD in Momentum Space (Hefei-NAMD-EPC) Contents. Overview; Installation Guide; Tutorials of Runing Hefei-NAMD-EPC; Overview. This is a program to perform non …

Github.com

Ab initio real-time quantum dynamics of charge carriers in

Web Jun 1, 2023 · Application of the non-adiabatic molecular dynamics (NAMD) approach is limited to studying carrier dynamics in the momentum space, as a supercell is required to …

Nature.com

Hefei-NAMD — ABACUS documentation - Read the Docs

Web Hefei-NAMD . Hefei-NAMD Non-adiabatic molecular dynamics applies surface hopping to incorporate quantum mechanical effects into molecular dynamics simulations. Surface …

Abacus-develop.readthedocs.io

Prof. Jin Zhao's research group

Web Prof. Jin Zhao's research group

Hefei-namd.org

南加州大学-褚维斌：Hefei-NAMD使用的一些经验 - 哔哩哔哩

Web 109 50 褚维斌博士，2018年毕业于中国科学技术大学，现为美国南加州大学博士后，合作导师为Oleg V. Prezhdo教授，目前的研究方向是激发态载流子动力学方法的发展及应用。 …

Bilibili.com

GitHub - WeibinChu/Hefei-NAMD-DEV: Hefei-NAMD is an ab …

Web Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping methods to investigate ultrafast …

Github.com

蔻享--共享科学、传播科学

Web Hefei-NAMD中的激子动力学蒋翔，现为中国科学技术大学微尺度物质科学国家研究中心博士研究生，导师为赵瑾教授。他率先在Hefei-NAMD中实现了自旋分辨的real-time …

Koushare.com

Ab initio nonadiabatic molecular dynamics ... - Wiley Online …

Web Mar 14, 2019 · Combining the real-time time-dependent density functional theory with fewest-switches surface hopping scheme, we develop time-dependent ab initio …

Wires.onlinelibrary.wiley.com

Non-adiabatic Molecular Dynamics using Hefei-NAMD

Web Non-adiabatic Molecular Dynamics using Hefei-NAMD Qijing Zheng Hefei National Laboratory for Physical Sciences at the Microscale University of Science and Technology …

Raw.githubusercontent.com

Hefei-NAMD/VASP_NAMD_manual.pdf at master - GitHub

Web A tag already exists with the provided branch name. Many Git commands accept both tag and branch names, so creating this branch may cause unexpected behavior.

Github.com

Tengfei HE | Northeastern University, MA | NEU | Research profile

Web Tengfei HE | Cited by 219 | of Northeastern University, MA (NEU) | Read 14 publications | Contact Tengfei HE

Researchgate.net

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