Group Meeting

NTUST group Fri. 15:30

TKU group Mon. 8 am and Thu. 8 am

Office, Lab

NTUST ChE E2-505, E2-804


Machine Learning 


  • Prediction of Interfacial Properties
  • Predictions of hydrolysis rates and conditional molecular design of esters
  • Design and application of Soft Sensors in the process industry, is collaborating with NTUST and TKU group
  • Spectral analysis

Multiscale Molecular Simulation 


  • Thermodynamics 
  • Interfacial Phenomena
  • Self-Assembled Polymer Thin-Films
  • Quantum spectral analysis, is collaborating with Professor Yung-Ting Lee

 Chemical Process


  • Optimization of the solvent regeneration and CO2 desorption process
  • Control Systems for Desalination Membrane Distillation



  • Preparation of porous polymer membranes, is collaborating with Professor Liao-Ping Cheng
  • Seawater desalination by membrane distillation
  • Raman spectral analysis at liquid-liquid interface
  • Electrochemistry and signal processing, is collaborating with Chung-Chie Yang and Professor Yung-Ting Lee


     Graduate and Undergraduate Student Recruiting (研究生與專題生招生)

    The Multiscale Molecular Simulation and Machine Learning Lab is looking for any new graduate and undergraduate students at this time. 多尺度分子模擬和機器學習實驗室目前正在尋找任何新的研究生與專題生。

    Research Projects Underway (正在進行的研究項目):

    • Interfacial phenomena using molecular simulations and machine learning (分子模擬與AI探討界面現象)
    • Optimal control of chemical processes using machine learning (機器學習進行化工程序優化控制,與台科、淡江PSE團隊合作)
    • Raman spectrum analysis of interfacial phenomenon (結合實驗與模擬進行拉曼光譜分析探討界面現象,與北科車輛系李泳霆老師合作)
    • Experimental neutron reflectivity integrated with molecular simulations (實驗中子反射率與分子模擬相整合,與澳洲同步輻射黃子晏博士合作)
    • Preparation of porous PES, PVDF, and PLA membranes integrated with molecular simulations (實驗製備高分子PES、PVDF、PLA孔洞薄膜與分子模擬相整合,與淡江化材系鄭廖平教授合作)
    • Do-it-yourself (DIY) design and construction of electrochemical devices (DIY設計和建造電化學裝置,與緯創資通股份有限公司楊中誌、北科車輛系李泳霆老師合作 )

The Lab Rules (實驗室守則)

  • I will care about your progress every day so that your master's degree can successfully graduate in two years. (我會每天關心你/妳的進度以便你/妳碩士可以順利在兩年畢業)
  • To enhance your reporting skills, we hold bi-weekly group meetings where you are expected to give a presentation on your research topic. (為了增進你/妳的報告能力,我們每兩週舉行一次小組會議,你/妳應該就你/妳的研究主題發表演講)
  • It is very important that you have a very good grasp of English as a working language. You will need to read English papers. (熟練掌握英語作為工作語言是非常重要的,你/妳將需要閱讀英文論文)
  • I only try to persuade students to do what they should be doing in the lab, but it is NOT required to complete whatever you need to complete IN the lab, you can complete it anywhere you feel comfortable! (我只是試圖說服學生做他們應該在實驗室裡做的事情,但並不要求你/妳在實驗室裡完成任何你/妳需要完成的事情,你/妳可以在任何你/妳覺得舒服的地方完成它)
  • You can do what you like in the lab as long as you do not cause trouble for others and as long as you finish what you are supposed to be accomplishing. (你/妳可以在實驗室裡做自己喜歡做的事,只要你/妳不給別人帶來麻煩,只要你/妳完成了你/妳應該完成的事情) 

Contact us

ChE E2-505 #No.43, Sec. 4, Keelung Rd., Da'an Dist., Taipei City 10607, Taiwan (R.O.C.)

Tel: +886-2-2737-6626

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