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Welcome to the CMRL Website! Heading link

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.

Most Recent News Heading link

TMS 2022

Farid has presented a talk in the TMS 2022 meeting in Anaheim, CA

Farid has presented his research on the role of anharmonic phonons on the diffusion of bcc metals in the “Computational Thermodynamics and Kinetics” symposium. For more details see the following articles: https://doi.org/10.1103/PhysRevMaterials.6.023803 https://doi.org/10.1103/PhysRevMaterials.4.043802

Understanding the role of anharmonic phonons in diffusion of bcc metals

New publication in Physical Review Materials

Congratulations to Farid for publishing his research article entitled “Understanding the role of anharmonic phonons in diffusion of bcc metals” in Physical Review Materials!   See the article at: https://doi.org/10.1103/PhysRevMaterials.6.023803 Or access a…

Machine Learning, Synthesizability prediction

New publication in Communications Materials

Congratulations to Ali for publishing his research article entitled “Predicting synthesizability of crystalline materials via deep learning” in Communications Materials! See the article at: https://rdcu.be/cBylm

Cluster Expansion of Alloy Theory: A Review of Historical Development and Modern Innovations

New publication in JOM

Our recent review paper entitled “Cluster Expansion of Alloy Theory: A Review of Historical Development and Modern Innovations” has been published in JOM. See the article at: https://rdcu.be/cyg7t