Machine Learning-Enhanced Multiscale Simulations for Soft Material Modeling

Members

Principal Investigator

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Chun-I Wang (he/him)

    ✉️  chuni.wang@lehman.cuny.edu
    🏢  Room 336 Davis Hall, Lehman College

Academic Experience & Education

Prof. Wang has been an assistant professor at Lehman College, City University of New York, since Fall 2024. He earned his PhD in Chemical Engineering from National Chung Cheng University, Taiwan, in 2017, where he investigated the self-assembly and solvation behavior of polymers and nanoparticles using molecular dynamics simulations. From 2017 to 2021, he was a postdoctoral researcher at the Institute of Chemistry, Academia Sinica, Taiwan, where he spearheaded the institute’s first machine learning (ML)-driven project on electronic coupling predictions for organic semiconductors, achieving exceptional accuracy while reducing computational costs by a factor of 10,000 compared to density functional theory (DFT) methods. From 2021 to 2024, he served as a postdoctoral researcher at the University of Illinois at Urbana-Champaign, developing electronic coarse-graining models integrated with ML to reveal charge transport mechanisms in organic semiconductors without requiring traditional backmapping or additional DFT calculations. His current research combines ML and data science with multiscale simulations to investigate structure-property relationships in advanced soft materials.

Undergraduate Students

Lane Dibier

Lane is a first-year post-baccalaureate student at Lehman College. She holds a B.A. in English with a focus on Journalism and Gender Studies from the University of Vermont. Following her studies at Lehman, Lane plans to pursue a career in medicine. Her research utilizes data analysis techniques to characterize the molecular structures of bioimaging materials.