Welcome to the CMRL Website!

Computational Materials Research Lab

Physical and mechanical properties of materials and the underlying phenomena in any materials-related process arise from the interaction and structure of basic constituents of matter. Owing to the progress of computer power, numerical simulations have become one of the most fundamental and reliable tools to unravel interactions at the electronic and atomic levels. In the Computational Materials Research Lab (CMRL), our research focuses on developing innovative theoretical and computational frameworks to bridge quantities at the electronic and atomic levels to materials formation, stability, and processes at the macroscopic level. Throughout our research efforts, we discover new materials with desired properties for a wide range of applications and unravel the underlying mechanisms for many materials-related phenomena.

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View our past and present research studies.
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Check out our available courses offered for the Fall & Spring semesters.
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See our laboratory members.
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Open positions
View our open positions to join our team.
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See the list of our group journal articles and conference presentations.