Research in her group is devoted to computational quantum mechanical studies of materials. She addresses electronic, structural, and vibrational properties from a fundamental and inter-related perspective. She develops and applies simulation methods to investigate materials properties at high pressures and temperatures, particularly in mineral physics and geophysics, discovery of materials at ultra-high pressures, H2O-ice physics, complex oxides, and crystalline defects.
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Fellows and Students
Yang Sun, Post-doc
Since 2019
Department of Applied Physics & Applied Mathematics
Wenjie Lei, Post-doc
Since 2021
Lamont-Doherty Earth Observatory
Zhen Zhang, PhD Student
Since 2017
Department of Applied Physics & Applied Mathematics
Qi Zhang, PhD Student
Since 2017
Department of Applied Physics & Applied Mathematics
Jingyi Zhuang, PhD Student
Since 2019
Department of Earth & Environmental Sciences
Chenxin Luo, PhD Student
Since 2019
Department of Applied Physics & Applied Mathematics
Tianqi Wan, PhD Student
Since 2020
Department of Applied Physics & Applied Mathematics
Hongjin Wang, M.Sc.
Since 2018
Department of Computer Science
Fellows and Students
Yang Sun, Post-doc
Since 2019
Department of Applied Physics & Applied Mathematics