没有合适的资源?快使用搜索试试~ 我知道了~
DFT的matlab源代码-amp-tutorial:插图
![preview](https://csdnimg.cn/release/downloadcmsfe/public/img/white-bg.ca8570fa.png)
共39个文件
png:16个
json:10个
txt:4个
![preview-icon](https://csdnimg.cn/release/downloadcmsfe/public/img/scale.ab9e0183.png)
需积分: 9 0 下载量 199 浏览量
2021-05-26
03:35:53
上传
评论
收藏 1.48MB ZIP 举报
温馨提示
DFT的matlab源代码开源神经网络应用教程 \ maketitle 介绍 所有随附的文档和数据可从Github获得,网址为: 同样,可以在以下位置找到PDF: 除Vienna ab initio模拟软件包(VASP)之外,其中描述的所有代码都是开源的。 有疑问或有兴趣了解更多信息吗? 请随时通过jboes@andrew.cmu.edu与我联系。 理论 密度泛函理论 在Kitchin小组中,我们使用VASP服进行密度泛函理论(DFT)计算。 求解用电子密度逼近薛定inger方程的Kohn-Sham方程。 VASP是大体积系统的理想选择,因为它使用平面波来估计电子密度。 尽管强大而准确的DFT对于更高级的应用(例如分子动力学(MD)和较大的晶胞)来说太慢了。 MD要求进行大量的串行计算,而DFT不适合进行此计算。 神经网络(NN) 神经网络是一种机器学习技术,可用于从任意输入变量构造灵活函数。 这已成功实现,可以从原子位置(输入变量)预测势能(函数输出)。 图ref:fig-nn中展示了一个2原子系统的基本前馈神经网络。 前馈神经网络受到其构造的限制。 使用此方法不能添加原子或使原子混
资源推荐
资源详情
资源评论
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
![zip](https://img-home.csdnimg.cn/images/20210720083736.png)
收起资源包目录
![package](https://csdnimg.cn/release/downloadcmsfe/public/img/package.f3fc750b.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/TXT.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/TXT.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/TXT.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/TXT.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
![folder](https://csdnimg.cn/release/downloadcmsfe/public/img/folder.005fa2e5.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/PNG.png)
![file-type](https://csdnimg.cn/release/download/static_files/pc/images/minetype/UNKNOWN.png)
共 39 条
- 1
资源评论
![avatar-default](https://csdnimg.cn/release/downloadcmsfe/public/img/lazyLogo2.1882d7f4.png)
![avatar](https://profile-avatar.csdnimg.cn/default.jpg!1)
weixin_38620741
- 粉丝: 1
- 资源: 909
上传资源 快速赚钱
我的内容管理 展开
我的资源 快来上传第一个资源
我的收益
登录查看自己的收益我的积分 登录查看自己的积分
我的C币 登录后查看C币余额
我的收藏
我的下载
下载帮助
![voice](https://csdnimg.cn/release/downloadcmsfe/public/img/voice.245cc511.png)
![center-task](https://csdnimg.cn/release/downloadcmsfe/public/img/center-task.c2eda91a.png)
最新资源
- 基于Docker-compose的Elasticsearch集群每个节点均是独立docker-compose配置而成源码.zip
- 目标检测-零售食品LOGO检测数据集-40000张图-+对应VOC-COCO-YOLO三种格式标签+数据集划分脚本
- 目标检测-零售食品LOGO检测数据集-30000张图-+对应VOC-COCO-YOLO三种格式标签+数据集划分脚本
- 目标检测-零售食品LOGO检测数据集-20000张图-+对应VOC-COCO-YOLO三种格式标签+数据集划分脚本
- 目标检测-零售食品LOGO检测数据集-10000张图-+对应VOC-COCO-YOLO三种格式标签+数据集划分脚本
- 基于GUI+MYSQL+JAVA图书管理系统文档说明+源码(高分大作业项目).zip
- 基于Qt使用C++实现图书管理系统源码+数据库(95分以上).zip
- 基于GUI+MYSQL+JAVA票务管理系统文档介绍+源码+数据库(高分大作业).zip
- Java项目-购物网站系统(java+Servlet+JSP+Mysql)
- 基于MC1496应用电路Multisim仿真源文件,Multisim10以上版本可打开运行.zip
资源上传下载、课程学习等过程中有任何疑问或建议,欢迎提出宝贵意见哦~我们会及时处理!
点击此处反馈
![feedback](https://img-home.csdnimg.cn/images/20220527035711.png)
![feedback](https://img-home.csdnimg.cn/images/20220527035711.png)
![feedback-tip](https://img-home.csdnimg.cn/images/20220527035111.png)
安全验证
文档复制为VIP权益,开通VIP直接复制
![dialog-icon](https://csdnimg.cn/release/downloadcmsfe/public/img/green-success.6a4acb44.png)