Group Dr. Xiaofeng Qian Graduate Students Undergrad Students Alumni

Principal Investigator

Xiaofeng Qian

Curriculum Vitae (CV)     
Xiaofeng Qian, Ph.D.
Associate Professor
Department of Materials Science and Engineering
Department of Physics and Astronomy
Department of Electrical and Computer Engineering
Texas A&M University

Honors and Awards
  • 2021 AZZ Faculty Fellow
  • 2021 Texas A&M TEES Young Faculty Fellow
  • 2020 Materials Today Rising Star in Quantum Materials
  • 2018 NSF CAREER Award, DMR CMMT

  • Education and Professional Experience
  • B.S., Engineering Physics, Tsinghua University, China, 2001
  • Ph.D., Nuclear Science and Engineering, MIT, 2008, Advisor: Sidney Yip
  • Postdoc., Materials Science and Engineering, MIT, 2008-2011, Supervisor: Nicola Marzari
  • Postdoc., Nuclear Science and Engineering, MIT, 2011-2014, Supervisor: Ju Li

  • Contact
    Phone: +1-979-458-9843
    Fax:     +1-979-862-6835

    Mailing Address: 3003 TAMU, College Station, TX 77843-3003
    Office Address:  RDMC 224

    Graduate Students

    Daniel Willhelm Daniel Willhelm, B.S.
    Graduate Student, Materials Science and Engineering (2017 - Present)

    Theoretical Investigations of Van der Waals 2D Heterostructures Using Machine Learning and Density-Functional Theory
    • Combining First-principles calculations and machine learning to discover and develop van der Waal heterostructures
    • Graph deep learning on materials and molecules
    • Interpretable machine learning models of electronic structures

    Nathan Wilson Nathan Wilson, B.S.
    Graduate Student, Materials Science and Engineering (2017 - Present)

    Theory-Guided Optimal Materials Discovery and Design
    • First-principles calculations of thermoelectric properties
    • Active machine learning for accelerated and convergent classical force field development
    • Advanced feature engineering and physics guided machine learning for materials science

    Xiuyu Tang Xiuyu Tang, B.S.
    Graduate Student, Materials Science and Engineering (2019 - Present)

    Nonlinear Light-Matter Interaction and Non-equilibrium Matter
    • Topological materials
    • MoirĂ© superlattices

    Alex Strasser Alex Strasser, B.S.
    Graduate Student, Materials Science and Engineering (2020 - Present)

    First-Principles Study of Nonlinear Optical Materials
    • Electronic structure theory
    • Linear and nonlinear optical responses

    Ziyue Wang Ziyue Wang, B.S.
    Graduate Student, Materials Science and Engineering (2021 - Present)

    Machine Learning Force Fields for Functional Materials

    Undergraduate Students

    Ashen Kenna
    Ashen Kenna
    Undergraduate Student, Materials Science and Engineering (2020 - Present)

    Electronic and Optical Properties of One-Dimensional Materials

    Kaleigh Curtis
    Kaleigh Curtis
    Undergraduate Student, Materials Science and Engineering (2020 - Present)

    Low-Dimensional Piezoelectric Materials


    Hua Wang Hua Wang, Ph.D. (2015-2020)
    Current Affiliation: Assistant Professor, Zhejiang University
  • 2020 Association of Former Students Distinguished Graduate Student Award, Texas A&M University
  • 2020 MSEN Best PhD Thesis Award, Texas A&M University

  • PhD Thesis: First-Principles Theory, Discovery, and Design of Nonlinear Optical Materials
    • First-principles theory and method development of nonlinear optical responses
    • Second harmonics generation and nonlinear photocurrent in 2D materials and topological materials
    • Ferroicity-driven nonlinear photocurrent photocurrent switching and nonlinear anomalous Hall effect
    • Discovery of 2D ferroelectrics, ferromagnetics, and multiferroics
    Baiyu Zhang
    Baiyu Zhang, Ph.D. (2016-2021)
    Current Affiliation: Postdoctoral Associate, University of California, Santa Barbara
  • 2021 MSEN Best PhD Thesis Award, Texas A&M University

  • PhD Thesis: First-Principles Study of Electronic Structure and Defect Physics in Photovoltaic and Neuromorphic Materials
    • First-principles study of electronic structure and defect physics of antimony chalcogenides
    • Interface engineering and defect control for improving solar cell efficiency
    • Theoretical studies of correlated oxides, 2D materials, and ferroelectrics for neuromorphic computing
    Jaybelle Dannah Pranada
    Jaybelle Dannah Pranada, M.S. (2019-2021)
    Current Affiliation: PhD student, Materials Science and Engineering, Texas A&M University

    MS Thesis: First-Principles Study of One-Dimensional Antimony Selenide Nanoribbon
    • Density functional theory calculations of antimony chalcogenides
    • Defect physics upon extrinsic doping
    Daniel Peralta Velazquez
    Daniel Peralta Velazquez, B.S.
    Undergraduate Student, Computer Engineering, Texas A&M University (2019 - 2021)
    Current Affiliation: PhD student, Electrical and Computer Engineering, University of Texas at Austin

    UG Research: Database Implementation and Machine Learning Applications for Materials Science
    • Database implementation
    • Data analysis with machine learning
    Dana Ronin
    Dana Ronin, B.S.
    NSF REU student, Summer 2019
    Current Affiliation: PhD student, Department of Microbiology, University of Copenhagen, Denmark

    NSF REU: Modeling 2D Multiferroic GeSe Using Machine Learning
    • Training and benchmarking machine learning force field for monolayer GeSe
    • Molecular dynamics simulations of monolayer GeSe using