News

New Publication in Machine Learning: Science and Technology

Read our article “Impact of data bias on machine learning for crystal compound synthesizability predictions” at https://iopscience.iop.org/article/10.1088/2632-2153/ad9378 Ali Davariashtiyani et al 2024 Mach. Learn.: Sci. Technol. 5 040501

New publication in Physical Review Materials

Read our article “Defect energy formalism for CALPHAD thermodynamics of dilute point defects” (Editor’s Suggestion) at https://doi.org/10.1103/PhysRevMaterials.8.113802  

Congratulations to Manisha on Her New Role as Data Science Research Assistant at the Lieber Institute for Brain Development!

Congratulations to Ali on Securing a Postdoctoral Position at the University of Chicago!

New publication in Ceramics International

Read our article “Heat radiation mitigation in rare-earth pyrosilicate composites: A first principles investigation of refractive index mismatch” at https://doi.org/10.1016/j.ceramint.2024.01.417

Congratulations to Connor on Securing a Summer 2024 Internship with Northrop Grumman!

New publication in Physical Review Materials

Congratulations to Farid for publishing their research article “Improving ab initio diffusion calculations in materials through Gaussian process regression” in Physical Review Materials !   See the article at https://doi.org/10.1103/PhysRevMaterials.8.013804

Congratulations to Ali Davariashtiyani on Successfully Defending His PhD Dissertation!

Dissertation title: “Deep Learning for Predicting the Formation Energy and Synthesizability of Crystalline Materials” Link: https://proxy.cc.uic.edu/login?url=https://www.proquest.com/dissertations-theses/deep-learning-predicting-formation-energy/docview/3020675995/se-2?accountid=14552 Davariashtiyani, A. (2023). Deep learning for predicting the formation energy and synthesizability of crystalline materials (Order No. 31229421). Available…

Outreach Activity at the 2023 Futures Unlimited Workshop

Prof. Kadkhodaei, Devi Beswajeet, and Amir Orvati demonstrated an experiment on December 14 2023 at the Futures Unlimited Workshop. Organized by the Oakton Community Colleges the Futures workshop brought together more than 800…

New publication in Communications Materials

Congratulations to Ali for publishing their research article “Formation energy prediction of crystalline compounds using deep convolutional network learning on voxel image representation” in Communications Materials!   See the article at  https://doi.org/10.1038/s43246-023-00433-9  

Congratulations to Manisha Barse on Successfully Defending Her Master's Thesis!

Thesis title: “Analysis of Defects in Ce5O9 Through Density Functional Theory” Link: https://proxy.cc.uic.edu/login?url=https://www.proquest.com/dissertations-theses/analysis-defects-ce5o9-through-density-functional/docview/2872623247/se-2?accountid=14552 Barse, M. (2023). Analysis of defects in Ce5O9 through density functional theory (Order No. 30765230). Available from Dissertations & Theses @ Big…

Ph.D. Opening in the Chicago/DOE Alliance Center

A fully funded Ph.D. position for US Persons (US citizens or permanent residents) is available for Fall 2023/Spring 2024 in Prof. Kadkhodaei’s lab at the University of Illinois Chicago (UIC). This position is funded under…

Outreach Activity at the Futures Unlimited Workshop

Prof. Kadkhodaei, Ali Davariashtiyani, and Seyyedfariddodin Fattahpour demonstrated an experiment on December 15 2022 at the Futures Unlimited Workshop. Organized by the Oakton Community Colleges the Futures workshop brought together more than 800…

New publication in Materials Today Communications

Congratulations to Noel, Long, and Ogi for publishing their research article entitled “Computational design of corrosion-resistant and wear-resistant titanium alloys for orthopedic implants” in Materials Today Communications!   See the article at  https://doi.org/10.1016/j.mtcomm.2022.104465…

Noel, Long, and Ogi presented their research at the UIC's Undergraduate Research Forum

Noel Siony (right), Long Vuong (middle), and Ogi Lundaajamts (left) presented their research in a poster competition at the 2022 UIC’s Undergraduate Research Forum.  

Noel Siony and Long Vuong join the DoD-STEM program at UIC

Congratulations to Noel and Long for receiving support from the DoD-STEM initiative at UIC to conduct research in our group. I am happy to serve as the faculty advisor for them in the…

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

Prof. Kadkhodaei was invited to present a talk at the TMS 2022 meeting in Anaheim, CA

I presented our recent deep learning model for synthesizability prediction of crystalline materials, conducted by Ali Davariashtiyani, in the Materials Design and Processing Optimization for Advanced Manufacturing: from Fundamentals to Application symposium. For more…

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…

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

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

Sara Kadkhodaei (co-PI) received a National Science Foundation grant, titled “Collaborative Research: DMREF: Machine Learning Algorithm Prediction and Synthesis of Next Generation Superhard Functional Materials."

This award is led by Prof. Russel Hemley. Details of the award can be found here: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2119308&HistoricalAwards=false

Long T. Vuong wins the Chancellor’s Undergraduate Research Award (CURA) for the 2021-2022 academic year!

Long T. Vuong wins the Chancellor's Undergraduate Research Award (CURA) for the 2020-2021 academic year!

Congratulations to Long for winning the Chancellor’s Undergraduate Research Award for the 20-21 academic year!

Sara Kadkhodaei (PI) received a National Science Foundation grant, titled “Phonon-Assisted Diffusion in Solids from First-Principles: Unraveling a New Mechanism for Fast Diffusion”.

This award is led by the PI, Prof. Sara Kadkhodaei. Details of the award can be found here: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1954621&HistoricalAwards=false

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…

Congratulations to Caitlin for getting an internship with QuesTek LLC. for summer 2020!

Prof. Kadkhodaei presented a talk at TMS 2020 meeting in San Diego!

In this talk, we presented a recently developed ab-initio-based thermodynamic model for free energy calculation of mechanically unstable phases. We also presented the implementation of the model as an automated software toolkit.  For…

Futures Unlimited Workshop Presentation

On December 13, 2019, Prof. Kadkhodaei and Ali presented a workshop on “heat treatment of metals” at the Futures Unlimited event held at Oakton Community college, Des Plaines Campus. In this workshop, eighth-grade…

Prof. Kadkhodaei gave a talk during the MRS fall 2019 conference!

Prof. Kadkhodaei presented her recent publication with Prof. van de Walle from Brown University at the Materials Research Society (MRS) fall 2019 meeting. In this talk a new theoretical model is introduced for…

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…

New publication in The Journal of Chemical Physics

Our new article on a new theoretical model for cost-effective prediction of diffusive jump frequencies in solids has been published in The Journal of Chemical Physics.    

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…