Computation-driven Design of Functional Materials

The urgent demand for new technologies has greatly exceeded the capabilities of current materials research. In the past decades, computational modelling has been playing an increasingly important role in accelerating materials discovery and innovation. Understanding the atomic structure of a material is the first step in materials design. At UNC Charlotte, Zhu's group has been focusing on the development of various computational methods/codes for materials discovery. We are actively developing and employing different levels of physical simulation techniques (electronic structure calculation, molecular dynamics, machine learning.etc) to investigate the materials’ structure-property relation. Current, we are interested in organic electronics, functional electrides and batteries. For more information, please visit https://qzhu2017.github.io/research/.

The prospective Ph.D. students are encourage to apply for the UNC-Charlotte’s PhD program in Mechanical Engineering with a possible start date in both Spring and Fall 2024 (see https://mees.charlotte.edu/graduate-programs/graduate-admission for more information about the position and how to apply). The deadlines are 09/15/2023 (for Spring admission) and 02/15/2024 (for Fall admission). In the first instance, informal enquiries (accompanied with a CV and transcript) should be directed to Prof. Qiang Zhu ([Email Address Removed]), Department of Mechanical Engineering and Engineering Science, University of North Carolina at Charlotte, USA. Please put “Prospective Ph.D. Student/Postdoc” in the e-mail title.