Principal Investigators
Wei Chen
Assistant Professor, Illinois Institute of Technology - Chicago
Research interests: Computational materials science, materials design and discovery, density functional theory, statistical mechanics, high-
throughput calculations, high-entropy alloys.
Hendrik Heinz (PI)
Associate Professor, University of Colorado at Boulder
Research interests: Model databases for nanostructures, molecular and multiscale simulation, carbon
nanomaterials, alloys, force field development, feature generation, exploring effective algorithms for
machine learning to accelerate and scale up property predictions
Steve WaiChing Sun
Associate Professor, Columbia University
Research interests: Computational Mechanics, computational plasticity and fracture, geomechanics, mechanics of porous media.
Yusu Wang
Professor, Halicioglu Data Science Institute, University of California, San Diego.
Research interests: Geometric and topological data analysis. Developing effective and theoretically justified
algorithms for data analysis using geometric and topological ideas and methods, as well as applying them
to practical domains. Very recently she has been exploring how to combine geometric and topological
ideas with machine learning frameworks for modern data science.
Yanxun Xu
Assistant Professor, Johns Hopkins University
Research interests: Develop Bayes theory and methods for high-dimensional data analysis, nonparametric
problems, uncertainty quantification, and large-scale heterogeneous data problems. She also develops new
Bayesian methods for various applications, including electronic health records, dynamic treatment
regimens, cancer genomics, early detection of Alzheimer’s disease, mental health in people with HIV, early-
phase clinical trial designs, and material engineering.
Postdoctoral scholars and PhD students
Chen Cai : University of California, San Diego
Lucas Magee : University of California, San Diego
Qi Zhao: University of California, San Diego
Xiao Sun: Johns Hopkins University
Krishan Kanhaiya: University of Colorado at Boulder
Jordan Winetrout: University of Colorado at Boulder
Cheng Zhu: University of Colorado at Boulder
Nikolaos Vlassis: Columbia University
Bahador Balhmani Columbia University
Zeyu Xiong Columbia University
George Kim: Illinois Institute of Technology
Jie Zhang: Illinois Institute of Technology
Lucas Magee : University of California, San Diego
Qi Zhao: University of California, San Diego
Xiao Sun: Johns Hopkins University
Krishan Kanhaiya: University of Colorado at Boulder
Jordan Winetrout: University of Colorado at Boulder
Cheng Zhu: University of Colorado at Boulder
Nikolaos Vlassis: Columbia University
Bahador Balhmani Columbia University
Zeyu Xiong Columbia University
George Kim: Illinois Institute of Technology
Jie Zhang: Illinois Institute of Technology
Collaborators
Satish Kumar, GA Tech
Richard Liang, FSU
Peter Liaw, U of Tennessee
Gregory Odegard, Michigan Tech U
Richard Liang, FSU
Peter Liaw, U of Tennessee
Gregory Odegard, Michigan Tech U