DFT diffusivity results by including phonon-phonon coupling effects for bcc Ti and bcc Zr.

New publication in Physical Review Materials

Our new article on understanding the effect of anharmonic lattice vibration on diffusion properties of the bcc phase of IVB metals is published in the Physical Review Materials! More articles on this topic…

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New publication in Computer Physics Communications

A full description of the software tool for Piecewise Polynomial Potential Partitioning (P4) model has been published in Computer Physics Communications. The P4 model is a unique computational model for free energy calculation of…

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Ali attended ICME Summer School at the University of Michigan

Ali had been selected to attend the Integrated Computational Materials Education (ICME) summer school, sponsored by National Science Foundation (NSF) and University of Michigan at Ann Arbor. During the one-week course of this…