Eunja Kim's expertise is in computational materials research, mainly focused on materials for energy and device applications. She has extensive experience in carrying out atomistic modeling and simulations to investigate the structure-property relationship of critical materials including semiconductors, super hard materials, energetic materials, molten salts, hydrogen storage materials, fuel/waste forms, and cladding materials. She has authored or co-authored over 127 publications in high-impact journals.

• New Grant Award Recognition - Office of Research and Sponsored Projects (01/01/2023-01/31/2023)
• New Grant Award Recognition - Office of Research and Sponsored Projects (02/01/2022-02/28/2022)
• STARS - UTEP (09/01/2021)

• Ph D in Solid State Physics, Jeonbuk National University (1996)

• Early elevations of RAS protein level and activity are critical for the development of PDAC in the context of inflammation. Cancer letters (2024), J Ma, F Gong, Eunja Kim, J X. Du , C Leung, S Qingchun, C D. Logsdon, Y Luo, X Li , Weiqin Lu.
• High-temperature chromium diffusion in austenitic stainless steel: Ab initio molecular dynamics simulations Chemical Physics Letters 836 (2024), Philippe F. Weck, Eunja Kim.
• Experimental demonstration of necessary conditions for X-ray induced synthesis of cesium superoxide Phys. Chem. Chem. Phys. 25 3 (2023), Egor Evlyukhin, Petrika Cifligu, Michael Pravica, Pradip K. Bhowmik, Eunja Kim, Dmitry Popov, Changyong Park.
• Polymorphism and phase transitions in Na2U2O7 from density functional perturbation theory Phys. Chem. Chem. Phys. 25 25 (2023), Philippe F. Weck, Carlos F. Jové-Colón, Eunja Kim.
• Crystal and Electronic Structures of A2NaIO6 Periodate Double Perovskites (A= Sr, Ca, Ba): Candidate Wasteforms for I-129 Immobilization Inorganic Chemistry 59 24 (2020), Sarah E. O’Sullivan, Eduardo Montoya, Shi-Kuan Sun, Jonathan George, Cameron Kirk, Malin C. Dixon Wilkins, Philippe F. Weck, Eunja Kim, Kevin S. Knight, Neil C. Hyatt.
• Radionuclide incorporation in negative thermal expansion $\alpha$-Zr (WO4) 2: A density functional theory study Chemical Physics Letters 744 (2020), Eunja Kim, Philippe F. Weck, Jeffery A. Greathouse, Margaret E. Gordon, Charles R. Bryan.
• Strain-controlled magnetic ordering in 2D carbon metamaterials Carbon 161 (2020), Dan Liu, Eunja Kim, Philippe F. Weck, Tom\'anek, David.
• Thermodynamic properties of metaschoepite predicted from density functional perturbation theory Chemical Physics Letters 757 (2020), Philippe F. Weck, Jov\'e-Col\'on, Carlos F, Eunja Kim.
• Molecular dynamics simulation of zirconium tungstate amorphization and the amorphous-crystalline interface Journal of Physics: Condensed Matter 32 8 (2020), Jeffery A. Greathouse, Philippe F. Weck, Margaret E. Gordon, Eunja Kim, Charles R. Bryan.
• A comprehensive assessment of the low-temperature thermal properties and thermodynamic functions of CeO2 The Journal of chemical physics 151 4 (2019), Tyler D. Morrison, Elizabeth S. Wood, Phillippe F. Weck, Eunja Kim, Sung O. Woo, Andrew T. Nelson, Donald G. Naugle.
• Diffusion of carbon adatoms on gold ion trap electrode surfaces 2019 (2019), Hossein Jooya, Kyle S. McKay, Eunja Kim, Phil Weck, David Pappas, Dustin Hite, Hossein Sadeghpour.
• Elucidating Structure--Spectral Property Relationships of Negative Thermal Expansion Zr₂ (WO₄)(PO₄) ₂: A First-Principles Study with Experimental Validation Journal of physical chemistry (2019), Philippe F. Weck, Eunja Kim, Margaret E. Gordon, Jeffery A. Greathouse, Stephen P. Meserole, Charles R. Bryan.
• Fluorine chemistry at extreme conditions: Possible synthesis of $ HgF_4$ Papers in Physics 11 (2019), Michael G. Pravica, Sarah Schyck, Blake Harris, Petrika Cifligu, Eunja Kim, Brant Billinghurst.
• Generating Thermodynamic Data for Geochemical and SNF Degradation Models: A First-Principles Approach. Sandia National Lab.(SNL-NM), Albuquerque, NM (United States) (2019), Philippe F. Weck, Eunja Kim, Carlos F. Jove-Colon.
• High pressure behavior of mercury difluoride (HgF2) Chemical Physics Letters 724 (2019), Sarah Schyck, Egor Evlyukhin, Eunja Kim, Michael Pravica.
• POTENTIAL USE OF NOVEL Zr-PW WASTEFORMS FOR RADIONUCLIDE WASTE STREAMS. Sandia National Lab.(SNL-NM), Albuquerque, NM (United States) (2019), Charles R. Bryan, Margaret E. Gordon, Philippe F. Weck, Jeffery A. Greathouse, Eunja Kim, Clay Payne.
• Structural Properties of Crystalline and Amorphous Zirconium Tungstate from Classical Molecular Dynamics Simulations. Sandia National Lab.(SNL-NM), Albuquerque, NM (United States) (2019), Jeffery A. Greathouse, Philippe F. Weck, Margaret E. Gordon, Eunja Kim, Charles R. Bryan.
• Structure--thermodynamics relationship of schoepite from first-principles Physical Chemistry Chemical Physics 21 46 (2019), Philippe F. Weck, Jov\'e-Col\'on, Carlos F, Eunja Kim.
• Zirconium chloride molecular species: combining electron impact mass spectrometry and first principles calculations SN Applied Sciences 1 SAND2018-13925J (2019), Rosendo B. Nevarez, Eunja Kim, Bradley C. Childs, Henrik Braband, Laurent Bigler, Urs Stalder, Roger Alberto, Philippe F. Weck, Frederic Poineau.
• “Molecular dynamics simulation of zirconium tungstate amorphization and the amorphous-crystalline interface Journal of Physics: Condensed Matter 32 (2019), J Greathouse, P Weck, M Gordon, E Kim, C Bryan.

• Computational materials for energy and environment (2023), Eunja Kim.
• Computational materials for energy materials (2023), Eunja Kim.
• Sodium-containing Layered Oxides for Replacing Li Battery Cathodes: Defect Control to Enhance Ionic Conductivity. (2023), Volume Angelo State University, Yohannes Getahun, Danniella Vera, Alan Cangas, Oscar Buenrostr, Daisy Lopez, Eunja Kim, Harikrishnan Nair.
• Computational materials for energy and environment (2023), Eunja Kim.
• DFT Investigation of transition metal dopants in Beta-UO3 (2023), Eddie Montoya, Eunja Kim, Ken Czerwinski, Ashley Shields, Tyler Spano.
• Semiconducting Layered Technetium Dichalcogenide: Insights From First-Principles (2023), Volume SKKU, Korea, Eunja Kim.
• Cesium oxalate under extreme conditions: Theory and experiment (2023), Volume Chicago, Eunja Kim, E Evlyukhin, P Cifligu, M Pravica, P Bhowmik, D Popov, C Park.
• Ab initio Study of Point Defects in Uranium Oxides (2023), Volume Las Vegas, Monica Herrera , Carlos Hernandez, Nicholas Wilson, Eduardo Montoya , Todd Lombardi, Eunja Kim.
• Structural characterization of boron-doped alumina for smart lubricants (2023), Volume Las Vegas, Nicholas Wilson, Todd Lombardi, Ashish K. Kasar, William Wolfs , Pradeep L. Menezes , Eunja Kim.
• Rare-Earths, Critical Materials, and Hexagonal Motifs: Methods and Applications to Energy Systems (2023), Volume University of California, Merced, Tunna Baruah, Zahra Hooshmand Gharehbagh, M F. Islam, Todd Lombardi, K Withanage, Yoh Yamamoto, Eunja Kim, Mark R. Pederson.
• Sodium-containing Layered Oxides for Replacing Li Battery Cathodes: Defect Control to Enhance Ionic Conductivity. (2023), Volume University of California, Merced, Yohannes Getahun, Danniella Vera, Alan Cangas, Oscar Buenrostr, Daisy Lopez, Eunja Kim, Harikrishnan Nair.
• Rare-Earths, Critical Materials, and Hexagonal Motifs: Methods and Applications to Energy Systems (2023), Volume UTEP, Tunna Baruah, Zahra Hooshmand Gharehbagh, M F. Islam, Todd Lombardi, K Withanage, Yoh Yamamoto, Eunja Kim, Mark R. Pederson.
• Sodium-containing Layered Oxides for Replacing Li Battery Cathodes: Defect Control to Enhance Ionic Conductivity. (2023), Volume UTEP, Yohannes Getahun, Danniella Vera, Alan Cangas, Oscar Buenrostr, Daisy Lopez, Eunja Kim, Harikrishnan Nair.
• Computational thinking and specifications grading in an introductory calculus-based mechanics course at The University of Texas at El Paso (UTEP) (2023), Volume Las Vegas, NV, Jorge A. Munoz, Jose L. Banuelos, Eunja Kim, Ramon J. Ravelo, Yun Pil Shim.
• Incorporating density functional theory modeling to predict the chemical behavior of high-yielding fission products (Cs-137, I-129) in a UO2 framework in conjunction with experimental validity (2022), Eddie Montoya, Eunja Kim.
• High temperature reactions of simulated uranium oxide pellets doped with cesium and iodide matrices (2022), Eddie Montoya, Eunja Kim.
• Incorporating density functional theory modeling to predict the chemical behavior of high-yielding fission products (Cs-137, I-129) in a UO2 framework in conjunction with experimental validity (2022), Eddie Montoya, Eunja Kim, Ken Czerwinski.
• From the Front-end to the Back-end of the Nuclear Fuel cycles: An Integrated Computational Strategy (2022), Volume Albuquerque, Eunja Kim.
• Incorporating density functional theory modeling to predict the chemical behavior of high-yielding fission products in a UO2 framework in conjunction with experimental validity (2021), Volume Las Vegas, E Montoya, Eunja Kim.
• Incorporating density functional theory modeling to predict the chemical behavior of high-yielding fission products( Cs-137,I-129) in a UO2 framework in conjunction with experimental validity (2021), Volume zoom, E. Montoya, Andrew Swift, Rebecca Lowe, Ken Czerwinski, Eunja Kim.
• Investigations of B-site Ordered Double Perovskite Sr2NaIO6 (2020), Cameron Kirk, Eunja Kim.
• Semiconducting layered transition-metal dichalcogenides: insights from first-principles (2020), Eunja Kim.
• "Cubic boron carbonitride for advanced electronic applications to modernizing communication technology (2020), Eunja Kim.

• DFT CALCULATIONS OF UO3
• Computational and Experimental Investigation of Thermal-Mechanical- Chemical Mechanisms of High-burnup Spent Nuclear Fuel (SNF) Processes at Elevated Temperatures and Degradation Behavior in Geologic Repositories