The Hu group at Georgia Tech aims to identify structure-property correlations for knowledge/data-driven materials design and to understand the mechanics of energy storage and conversion at the atomic level. We employ quantum mechanical modeling in conjunction with materials informatics to investigate three critical applications: (1) electrochemical catalysis, (2) neuromorphic computing, and (3) light harvesting. We primarily focus on earth-abundant and environmentally benign materials, with a particular emphasis on 2D materials and perovskites.


To completely capture the underlying physical events that determine the wide range of functional qualities in the materials, we use a number of computational techniques at different levels of theory. Our ultimate goal is to attain atomic precision and automation in materials design through close collaboration with experimental groups at universities and national laboratories, including Oak Ridge National Laboratory.

We are now looking for candidates interested in developing and applying ab initio computational methods and materials informatics to design functional materials for energy-related applications. Materials Science and Engineering (MSE) at Georgia Tech is one of the largest, most diverse, and top-ranked materials programs in the U.S. In the 2023-2024 U.S. News & World Report rankings of engineering schools, the MSE graduate program held steady at #7 in the nation. Georgia Tech is one of the nation’s leading universities, distinguished by its commitment to improving the human condition through science and technology.The Georgia Tech campus occupies more than 400 acres in the heart of Midtown Atlanta, where approximately 25,000 students receive a focused, technology-based education.


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Available Subjects:

  • Materials Science and Engineering, Chemistry, Physics, Chemical Engineering, Mechanical Engineering


Fully funded




International Students



Criteria for eligibility:

  • It is necessary to have a BS or MS degree in materials science and engineering, chemistry, physics, chemical engineering, mechanical engineering, or a related branch of science and engineering.
  • An undergraduate GPA of at least 3.2 is necessary; the average GPA of students accepted into the graduate program during the last 10 years has been 3.6 on a 4.0 scale.
  • International students must pass an English proficiency exam.
  • Georgia Tech accepts both the Test of English as a Foreign Language (TOEFL) and the International English Language Testing System (IELTS).
  • A score of 100 is necessary (on the web-based test), with a minimum of 19 in each category and a minimum of 26 in the speaking category.
  • The Institute’s minimal IELTS standards are as follows: Reading: 6.5, Listening: 6.5, Speaking: 6.5, Writing : 5.5, Overall : 7.


Application Procedure:

Please email Dr. Hu ( a cover letter, your CV, and a list of references.

Examples of previous work, papers and/or code will also be useful to include here.


Application deadlines:

Sept 15 for Spring 2024, and Dec. 15 for Fall 2024.


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