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24 changes: 12 additions & 12 deletions _config.yml
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
name: 肖航课题组 Xiao Research Group
url: https://xiaohang007.github.io/
name: 世界一级方程式大奖赛 formula one grand prix
url: https://zhaohandong.github.io/

exclude: [bibble, README.md, Makefile, screenshot.png]

Expand All @@ -11,14 +11,14 @@ permalink: /blog/:year/:month/:day/:title.html
encoding: utf-8
# Sections on the "people" page.
roles:
- key: faculty
name: 教师 Faculty
- key: grad
name: 研究生 Graduate Students
- key: ugrad
name: 本科生 Undergraduate Students
- key: collab
name: 合作者 Collaborators
- key: leader
name: 领队 leader
- key: 1
name: 本人 self
- key: 2
name: 队友 team member
- key: 2
name: 车队 convoys


# Number of news stories on the front page.
Expand All @@ -36,7 +36,7 @@ collections:
navigation:
- title: 主页 Home
link: /
- title: 科研项目 Research
- title: 奖项 award
link: /research.html
- title: 论文 Publications
- title: 荣誉 reputation
link: /publications.html
46 changes: 23 additions & 23 deletions _data/people.yml
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@@ -1,19 +1,19 @@



profx:
display_name: "肖航 Hang Xiao"
github: xiaohang007
role: faculty
Lewis Hamilton:
display_name: "刘易斯汉密尔顿 Lewis Hamilton"
github: zhaohandong
role: driver
image: /img/people/hang.jpg
bio: 助理教授 Assistant Professor
webpage: "https://scholars.ln.edu.hk/en/persons/hang-xiao"
bio: 冠军车手 champion driver
webpage: "https://lewishamilton/en/persons/Lewis Hamilton"

scott:
display_name: "Scott Summers"
role: staff
George Russell:
display_name: "George Russell"
role: driver
image: /img/people/scott.png
bio: aka Cyclops
bio: driver

wolverine:
display_name: "Wolverine"
Expand All @@ -27,59 +27,59 @@ wolverine:


bizhu:
display_name: "张碧竹 Bizhu Zhang"
display_name: "Lewis Hamilton "
role: grad
image: /img/people/bizhu.jpg

kedeng:
display_name: "吴克登 Kedeng Wu"
display_name: "George Russell"
role: grad
image: /img/people/kedeng.jpg

storm:
display_name: "虚位以待 We need you!"
display_name: "Toto Wolf!"
role: grad
image: /img/people/need.png



alum-a:
display_name: "Alum A"
role: alum
bio: "Ph.D., 2013. Now at Microsoft Research."
display_name: "Sebastian Vettel"
role: world champion
bio: "2013 world champion"


chenxi:
display_name: "陈曦 [导师] Xi Chen [Advisor] "
display_name: "lewis hamilton "
role: collab


xiaoyang:
display_name: "时笑阳 Xiaoyang Shi"
display_name: "max verstappen"
role: collab

xiangbiao:
display_name: "廖湘标 Xiangbiao Liao"
display_name: "lando norris"
role: collab

liangliang:
display_name: "朱亮亮 Liangliang Zhu"
display_name: "oscar piastri"
role: collab

chenyan:
display_name: "陈炎 Yan Chen"
display_name: "sergio perez"
role: collab

juzheng:
display_name: "宋居正 Juzheng Song"
display_name: "fernando alonso"
role: collab

yayun:
display_name: "张亚运 Yayun Zhang"
role: collab

dianxing:
display_name: "居佃兴 Dianxing Ju"
display_name: "nico hulkenberg"
role: collab


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12 changes: 6 additions & 6 deletions _layouts/default.html
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Expand Up @@ -19,8 +19,8 @@
flex-column
flex-md-row justify-content-md-between">
<a href="{{ site.base }}/" class="">
<img src="{{ site.base }}/img/logo.png"
srcset="{{ site.base }}/img/logo@2x.png 2x"
<img src="{{ site.base }}/img/003.jpg"
srcset="{{ site.base }}/img/003.jpg"
alt="Awesome" id="logo">
</a>
<ul class="nav nav-pills justify-content-center">
Expand Down Expand Up @@ -65,12 +65,12 @@ <h1>{{ page.title }}</h1>

<div class="footer">
<p>
<a href="https://www.ln.edu.hk/sis">跨学科学院 School of Interdisciplinary Studies</a>
<a href="https://www.formula1.com">世界一级方程式大奖赛 formula one grand prix</a>
-
<a href="https://www.ln.edu.hk/chs">岭南大学 </a>
<a href="https://www.ln.edu.hk/"> Lingnan University</a>
<a href="https://www.formula1.com/chs">Formula 1 </a>
<a href="https://www.formula1.com/"> 世界一级方程式大奖赛</a>
-
<a href = "mailto: hangxiao@ln.edu.hk">hangxiao@ln.edu.hk</a>
<a href = "mailto: www.formula1.com">www.formula1.com</a>
</p>


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2 changes: 1 addition & 1 deletion _posts/2024-08-08-recruit.md
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Expand Up @@ -4,5 +4,5 @@ shortnews: true
icon: newspaper-o
---

课题组热诚欢迎计算机、物理、化学、材料等背景的学生加入,开展博士/硕士学习研究!
世界一级方程式锦标赛(FIA Formula 1 World Championship,简称F1),是国际汽车运动联合会(FIA)举办的最高等级的年度系列场地赛车比赛,是当今世界最高水平的赛车比赛,与奥运会、世界杯足球赛并称为“世界三大体育盛事”。首次比赛于1950年英国银石赛道举行。

22 changes: 22 additions & 0 deletions _projects/Chinese Grand Prix.
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@@ -0,0 +1,22 @@
---
title: Chinese Grand Prix.

notitle: false

description: |

people:
- Max Verstappen
- Lewis Hamilton
- Lando Norris
- Guanyu Zhou
layout:Chinese grand prix
image: /img/projects/   IMG_chn.jpg
last-updated: 2024-04-21
link: https://arxiv.org/abs/2408.07608
-

## 简介 Introduction
race profile
On 19 April 2024, qualifying for the sprint race, Lando Norris won the pole, Hamilton and Alonso were second and third, Verstappen, Sainz, Perez, Leclerc, and Piastri were fourth to eighth, and Bottas and his teammate Zhou Guanyu, were ninth and tenth. On 20 April, F1 China Grand Prix sprint race, Verstappen won the championship, Hamilton was second, Zhou Guanyu ranked 9th. Qualifying, Verstappen easily got the pole position, Perez was 2nd, Alonso was 3rd, Norris was 4th, Piastri was 5th, Leclerc was 6th, Sainz was 7th; Zhou Guanyu was sorry to stop Q1 by 0.05 seconds, ranked 16th, and his teammate Bottas was 10th.
On 21 April 2024, the Formula One China race was held in Shanghai. Zhou Guanyu finished in 14th place. Verstappen won the Chinese Grand Prix for the first time in his career, with Norris finishing second.
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25 changes: 0 additions & 25 deletions _projects/MatterGPT-project.md

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8 changes: 4 additions & 4 deletions _projects/OLED-project.md
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@@ -1,5 +1,5 @@
---
title: 新型OLED材料的高通量量子化学预测与筛选 Discovery of new organic light-emitting diode (OLED) materials with high-throughput screening
title: 世界一级方程式中国大奖赛

notitle: false

Expand All @@ -10,11 +10,11 @@ people:
- chenxi

layout: project
image: /img/projects/oled.png
last-updated: 2020-01-26
image: /img/projects/IMG_chn.jpg
last-updated: 2024-04-18
---

## 简介 Introduction

与国内一线OLED供应商合作,借助高通量量子化学计算及数据驱动方法,我们开展了新型OLED材料的预测研究。现在该项目正在研发中
2024年4月19日,冲刺赛排位赛,兰多·诺里斯获得杆位、汉密尔顿、阿隆索分列二三位,维斯塔潘、塞恩斯、佩雷兹、勒克莱尔、皮亚斯特里位列四至八位,博塔斯和队友周冠宇,排名九、十位。 4月20日,F1中国大奖赛冲刺赛,维斯塔潘夺冠,汉密尔顿第二,周冠宇排名第9。 排位赛,维斯塔潘轻松拿到杆位,佩雷兹第2,阿隆索第3,诺里斯第4,皮亚斯特里第5,勒克莱尔第6,塞恩斯第7;周冠宇0.05秒之差遗憾止步Q1,排名第16,队友博塔斯第10

8 changes: 3 additions & 5 deletions _projects/S3N2-project.md
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@@ -1,5 +1,5 @@
---
title: 理论预测新型二维材料 De novo discovery of novel 2D materials
title: 美国大奖赛

notitle: false

Expand All @@ -12,13 +12,11 @@ people:
- chenxi

layout: project
image: /img/projects/2d.png
image: /img/projects/377.jpg
last-updated: 2020-01-22
---

## 简介 Introduction

我们首次理论预测由氮与硫组成的二维材料S3N2以及由磷和硫组成的二维材料P2S3,填补了该领域的空白。
自2004年发现单层石墨烯以来,不断有新的具有优异性质的二维材料被实验合成以及理论预测出来。由于其独特的量子约束特性,二维材料往往具有和块体材料不同的物理化学性质,具有广泛的应用前景,备受学界以及工业界关注。
通过遗传算法驱动的量子化学计算,我们首次理论预测由氮与硫组成的二维单层材料S3N2。通过理论计算得到了该材料的声子谱,验证了该材料的动力学稳定性。第一性原理分子动力学计算表明该材料在高于常温的环境中也能保持稳定。第一性原理计算表明该材料具有宽直接带隙(3.92 eV),并且具有较小的电子等效质量以及各向异性光学响应。该二维材料还可以形成电学性质可调的纳米管及纳米带结构。优异的电子学以及光电子学性质预示着该材料在二维电子学及光电子学器件方面具有潜在应用。


10 changes: 5 additions & 5 deletions _projects/SLICES-project.md
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@@ -1,5 +1,5 @@
---
title: SLICES:一种可逆晶体表示法及在人工智能驱动的晶体逆向设计中的应用 An invertible, invariant crystallographic representation for inverse design of solid-state materials using generative deep learning
title: 世界一级方程式英国大奖赛

notitle: false

Expand All @@ -12,10 +12,10 @@ people:
- chenxi

layout: project
image: /img/projects/slices.png
last-updated: 2023-06-08
link: https://www.nature.com/articles/s41467-023-42870-7
image: /img/projects/234.jpg
last-updated: 2024-07-08
link: https://www.formula1.com
---

## 简介 Introduction
过去十年来,得益于像简化分子输入线性表示系统(SMILES)这样的可逆且具有对称不变性的分子表示法,人工智能驱动的分子逆向设计取得了飞速进展。然而,设计晶体材料中元素的组成和结构排布以实现某些期望的性质,仍然是物理学、化学和生物学中长期存在的挑战。这主要是由于缺乏满足对称不变性的可逆晶体表示方法。为了解决这个问题,我们开发了一个简化的线输入晶体编码系统(SLICES)。这是一种基于字符串的既满足可逆性又满足对称不变性的晶体表示法。 SLICES 成功地重建了超过40,000种在结构和化学上各异的晶体结构,重建成功率高达94.95%,展现出前所未有的可逆性。此外,由于仅编码化学组成和拓扑信息,SLICES 确保了对称不变性。我们展示了SLICES在逆向设计具有直接窄带隙半导体中的应用。作为一种基于字符串的、可逆的、不变的以及高效的晶体表示法,SLICES 有潜力成为新材料发现的通用工具。

9 changes: 4 additions & 5 deletions _projects/hydrolysis-project.md
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@@ -1,10 +1,10 @@
---
title: 反常水解反应 Abnormal hydrolysis of ions
title: 世界一级方程式德国大奖赛

notitle: false

description: |
纳米水团簇中的离子水解反应研究 Hydrolysis of ions in nanoscale water clusters: a mechanism study


people:
- han
Expand All @@ -15,11 +15,10 @@ people:
- chenxi

layout: project
image: /img/projects/hydrolysis.png
last-updated: 2020-01-23
image: /img/projects/678.jpg
last-updated: 2024-01-23
---

## 简介 Introduction

我们通过结合全局结构搜索与量子化学计算,对不同水分子数量情况下碳酸根在纳米水团簇中水解的反应路径进行系统研究。发现水分子数量从1增加到6,碳酸根水解的能垒显著降低。该研究揭示了水分子对碳酸根在纳米水团簇中水解的催化效应。为设计高效率的CO2空气吸附剂提供了理论依据。

6 changes: 3 additions & 3 deletions _projects/phosphorene-project.md
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@@ -1,5 +1,5 @@
---
title: 二维黑磷ReaxFF反应力场开发 Development of a reactive force field for phosphorene
title: 日本大奖赛

notitle: false

Expand All @@ -12,11 +12,11 @@ people:
- chenxi

layout: project
image: /img/projects/phosphorene.png
image: /img/projects/577.jpg
last-updated: 2020-01-21
---

## 简介 Introduction
二维黑磷(Phosphorene)是一种从黑磷剥离出来的有序磷原子构成的、单原子层的、有直接带隙的二维半导体材料。磷烯在场效应晶体管、光电子器件、自旋电子学、气体传感器及太阳能电池等方面有着的广阔的应用前景。现存的黑磷力场(force field)存在精度低,无法描述缺陷(defects)等问题。针对这一痛点,我们开发了黑磷的ReaxFF反应力场,并且添加了60°修正项,实现了对黑磷,二维黑磷,二维蓝磷,磷原子团簇,黑磷缺陷等含磷体系的精确描述。为建立更普适的含磷材料反应力场奠定了基础。



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14 changes: 7 additions & 7 deletions index.html
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Expand Up @@ -5,7 +5,7 @@

# groups of columns of {roles: list, width: num, image: bool}
role-tables:
- - roles: [faculty, postdoc, staff]
- - roles: [leader, drive]
width: 4
image: true
- roles: [grad]
Expand All @@ -22,25 +22,25 @@

<div class="jumbotron">
<p>
<b>肖航课题组</b>开发了首个<b>基于字符串的可逆晶体表示法: SLICES</b>,实现了生成式AI驱动的<b>Text2Crystal</b>。SLICES有望成为AI驱动的晶体材料逆向设计的标准工具,即<b>晶体材料的"SMILES"</b>。
<b>世界一级方程式大奖赛</b>简称“f1”<b>始于1950年英国,由国际汽联举办的最高等级的年度系列场地赛车比赛,是当今世界最高水平的赛车比赛,与奥运会、世界杯足球赛并称为“世界三大体育盛事</b>。
</p>
<p>
The <b>XIAO Research Group</b> developed the first <b>string-based invertible, invariant crystallographic representation: SLICES</b>, achieving <b>Text2Crystal</b> powered by generative AI. SLICES has the potential to become a standard tool for <i> in-silico </i> materials discovery, i.e. "SMILES" for crystal structures.
The <b>formula 1 grand prix</b> Started in 1950 in the United Kingdom, the highest level of the annual series of field car racing organised by the FIA, is the world's highest level of motor racing, with the Olympic Games and the World Cup of Soccer known as ‘the world's three major sporting events’. <b>
</p>
</div>

<script
type="module"
src="https://gradio.s3-us-west-2.amazonaws.com/4.41.0/gradio.js"
src="https://www.formula1.com/4.41.0/gradio.js"
></script>

<gradio-app src="https://xiaohang07-slices.hf.space" theme_mode="light"></gradio-app>
<gradio-app src="https://www.formula1.com" theme_mode="light"></gradio-app>


<gradio-app src="https://xiaohang07-mattergpt-cpu.hf.space" theme_mode="light"></gradio-app>


<section>
<h2>News</h2>
<h2>论坛forum</h2>
<ul class="news list-unstyled">
{% for post in site.posts limit: site.front_page_news %}
{% include news-item.html item=post %}
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