Pinned Repositories
123.github.io
本项目为Pages静态博客示范，对应的演示网站地址为 👉
active_site_representation
apollo
An open autonomous driving platform
autodE
automated reaction profile generation
castepconv
CASTEPconv, a tool to automate convergence calculations with CASTEP
CatINT
1D continuum transport modeling suite, solving the PNP equation
chatgpt_academic
科研工作专用ChatGPT拓展，特别优化学术Paper润色体验，支持自定义快捷按钮，支持自定义函数插件，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python/C++/Go项目树剖析功能/项目源代码自译解能力，新增PDF和Word文献批量总结功能/PDF论文全文翻译功能
CO_hydrogenation
d3
Bring data to life with SVG, Canvas and HTML. :bar_chart::chart_with_upwards_trend::tada:
DescriptorMap
Automatic descriptor selection and volcano curve generation
xiongxiaojun's Repositories
xiongxiaojun/castepconv
CASTEPconv, a tool to automate convergence calculations with CASTEP
xiongxiaojun/123.github.io
本项目为Pages静态博客示范，对应的演示网站地址为 👉
xiongxiaojun/active_site_representation
xiongxiaojun/apollo
An open autonomous driving platform
xiongxiaojun/autodE
automated reaction profile generation
xiongxiaojun/CatINT
1D continuum transport modeling suite, solving the PNP equation
xiongxiaojun/chatgpt_academic
科研工作专用ChatGPT拓展，特别优化学术Paper润色体验，支持自定义快捷按钮，支持自定义函数插件，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python/C++/Go项目树剖析功能/项目源代码自译解能力，新增PDF和Word文献批量总结功能/PDF论文全文翻译功能
xiongxiaojun/CO_hydrogenation
xiongxiaojun/d3
Bring data to life with SVG, Canvas and HTML. :bar_chart::chart_with_upwards_trend::tada:
xiongxiaojun/DescriptorMap
Automatic descriptor selection and volcano curve generation
xiongxiaojun/Frhodo
Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application
xiongxiaojun/kcon
k-Bags Convolutional Neural Network
xiongxiaojun/KMC_WGSR_Au_MoC
This repository contains the Zacros input files used in my research work entitled "Kinetic Monte Carlo simulations unveil synergic effects at work on bifunctional catalysts", available at https://pubs.acs.org/doi/abs/10.1021/acscatal.9b02813.
xiongxiaojun/kmcos
Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
xiongxiaojun/LobsterPy
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
xiongxiaojun/mechaSVG
Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.
xiongxiaojun/mkmcxx-tof-demo
Demonstration of how to make TOF plots with the MKMCXX microkinetics modeling software package
xiongxiaojun/Multiscale-KMC
Kinetic Monte Carlo with multiple time scales and sensitivity analysis
xiongxiaojun/openmkm
Opensource software to model heterogeneous catalytic reactions. Based on Cantera
xiongxiaojun/PaddleX
PaddlePaddle End-to-End Development Toolkit（『飞桨』深度学习全流程开发工具）
xiongxiaojun/particle_conversion
Transient ODE Solver of heterogeneous particle conversion processes for combustion or gasification processes
xiongxiaojun/PyCatKin
PyCatKin is a class-based Python toolset for catalysis kinetics calculations. It includes modules for energy span analysis and mean-field microkinetic modelling with ideal reactor models.
xiongxiaojun/realFluidThermophysicalModels-6
xiongxiaojun/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
xiongxiaojun/SOFTX_2019_239
The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifying dominant reaction pathways and mechanism reduction. To cite this software publication: https://www.sciencedirect.com/science/article/pii/S2352711019302432
xiongxiaojun/supplementary-material
xiongxiaojun/TaskMatrix
xiongxiaojun/ThermoPot
Python package for calculating thermodynamic potentials from first-principles calculations
xiongxiaojun/volcanic
A program to automatically generate volcano plots for catalysis.
xiongxiaojun/xiongxiaojun.github.io
:lipstick: A gorgeous responsive theme for Hexo blog framework