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Barnie Cao 曹斌 Logo

I am Cao Bin, a graduate of Beijing University of Chemical Technology, and currently pursuing research at HKUST (Guangzhou) under the supervision of Professor Zhang Tong-yi. My research is centered on AI-driven computational materials science, particularly focusing on crystal structure analysis, generation, and Bayesian optimization. As an advocate of open science, I am dedicated to promoting transparency and accessibility in research.

Visit me at:

Research Interests:

  • Developing physics-informed machine learning algorithms
  • Refining spectroscopy methods and X-ray diffraction patterns
  • Exploring coupled scattering phenomena in X-ray and crystals
  • Investigating crystal electronic structures

Find me on:

ResearchGate Google Scholar GitHub Repositories Open Source Projects

WeChat Public Account WPEM Project Bgolearn Project

barnie曹斌's Projects

bgolearn icon bgolearn

A Bayesian global optimization package for material design ｜ Adaptive Learning | Active Learning

crystalxrd icon crystalxrd

an illustration that depicts the management of a crystal database

julia icon julia

The Julia Programming Language

kmmtransferregressor icon kmmtransferregressor

A library of transfer learning regression algorithms based on kernel mean matching for Instance transfer learning

mphil_shu icon mphil_shu

Data illustrated in my dissertation (2023) / Shanghai University / MPhil

multibgolearn icon multibgolearn

Multi-Objective Bayesian Global Optimization for materials design

pyscf icon pyscf

Python module for quantum chemistry

pyxtal icon pyxtal

A code to generate atomic structure with symmetry

q-e icon q-e

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

scikitlearn.jl icon scikitlearn.jl

Julia implementation of the scikit-learn API https://cstjean.github.io/ScikitLearn.jl/dev/

simxrd icon simxrd

a simulated xrd pattern database

tcgpr icon tcgpr

Machine Learning Algorithm : outlier identifying， feature selection

tclrmodel icon tclrmodel

TCLR is a tree model for distinguish the mechanisms of data | document https://tclr.netlify.app/

tradaboost icon tradaboost

Boosting for transfer learning with single / multiple source(s) Regression / Classification

wpem icon wpem

A X-ray Diffraction Refinement Software

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