Principal Investigator
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 Email: feng@tamu.edu 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, 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, 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, B.S. Graduate Student, Materials Science and Engineering (2019 - Present) Nonlinear Light-Matter Interaction and Non-equilibrium Matter Topological materials Moiré superlattices
			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, B.S. Graduate Student, Materials Science and Engineering (2021 - Present) Machine Learning Force Fields for Functional Materials

			Undergraduate Students
			Ashen Kenna Undergraduate Student, Materials Science and Engineering (2020 - Present) Electronic and Optical Properties of One-Dimensional Materials
			Kaleigh Curtis Undergraduate Student, Materials Science and Engineering (2020 - Present) Low-Dimensional Piezoelectric Materials

			Alumni
			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, 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, 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, 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, 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

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