Group Dr. Xiaofeng Qian Graduate Students Undergrad Students Alumni




Principal Investigator

Xiaofeng Qian



Curriculum Vitae (CV)     
Xiaofeng Qian, Ph.D.

Assistant Professor
Department of Materials Science and Engineering
College of Engineering and College of Science
Texas A&M University
College Station, TX 77843-3003

B.S., Engineering Physics, Tsinghua University, China, 2001
Ph.D., Nuclear Science and Engineering, MIT, 2008
  - Dissertation: Electronic Structure and Transport in Molecular and Nanoscale Electronics
  - Supervisor: Sidney Yip
Postdoc. at Nicola Marzari's group, Department of Materials Science and Engineering, MIT (2008-2011)
Postdoc. at Ju Li's group, Department of Nuclear Science and Engineering, MIT (2011-2014)

Email: 
Phone: +1-979-458-9843
Fax:     +1-979-862-6835

Mailing Address: 3003 TAMU, College Station, TX 77843-3003
Office Address: 224 RDMC, 575 Ross St, College Station, TX 77843





Graduate Students

Baiyu Zhang Baiyu Zhang, B.S.
Graduate Student, Materials Science and Engineering (2016 - Present)

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

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
  • First-principles investigations of van der Waals heterostructures
  • Machine learning enabled van der Waals materials discovery
  • Interpretable machine learning models of electronic structure

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© pattern

Jaybelle Dannah Pranada Jaybelle Dannah Pranada, B.S.
Graduate Student, Materials Science and Engineering (2019 - Present)

Theoretical Study of Extrinsic Doping in Antimony Chalcogenide Solar Cells
  • Density functional theory calculations of antimony chalcogenides
  • Defect physics upon extrinsic doping

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

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





Undergraduate Students

Daniel Peralta Velazquez
Daniel Peralta Velazquez
Undergraduate Student, Computer Engineering (2019 - Present)

Database Implementation and Machine Learning Applications for Materials Science
  • Database implementation
  • Data analysis with machine learning

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





Alumni

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

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
Dana Ronin Dana Ronin
Undergraduate Student, Bioengineering, University of Maryland
NSF REU student, Summer 2019

Modeling 2D Multiferroic GeSe Using Machine Learning
  • Training and benchmarking machine learning force field for monolayer GeSe
  • Molecular dynamics simulations of monolayer GeSe using
Yang Yang Yang Yang, M.S.
Visiting Student, Xi'an Jiaotong University (2017-2019)

Machine Learning Force Field
  • Development of machine learning force field
  • Sampling and training of machine learning force field for 2D materials
  • Molecular dynamics simulations of phase transition and deformation