Sarah Ghazanfari

Computational chemist with over 6 years of experience in multiscale modeling of advanced materials, computational chemistry, finite element method, and machine learning. Organized and successful at managing multiple priorities with a positive attitude. Independently motivated, yet appreciate team efforts and collaborate productively within interdisciplinary groups.

• Experienced Computational Materials Scientist with expertise in advanced physical-chemistry materials characterization and computational modeling.
• Skilled in using classical force fields and molecular dynamics simulations to quantify the mechanics of nanoparticles, including clay minerals and polymer-clay nanocomposites. Also experienced in studying the adsorption behavior of amino acids on clay slabs.
• Proficient in density functional theory (DFT) and first-principle ab initio dynamics for probing the electronic structure and optoelectronic properties of nanocrystals, specifically Montmorillonite clay minerals.
• Developed machine learning approaches and utilized cheminformatics/QSAR techniques to predict the bitterness of amino acids. Integrated these techniques with physical chemistry computational algorithms.
• Strong understanding of computational physical mechanisms and proficient in atomistic simulation codes such as LAMMPS, VASP, AutoDock Vina, and Materials Studio.
• Skilled in programming languages Matlab and Python, with expertise in high-performance computing and working in a Linux environment. Familiar with bash scripting.
• Extensive experience in exploring, compiling, and scaling testing of various software applications on mixed GPU/CPU high-performance computing (HPC) systems.
• Demonstrated track record of publishing high-quality refereed journal papers (over 5 papers) in computational modeling and physical chemistry in peer-reviewed scientific journals.
• Proficient in utilizing the Finite Element Method for free vibration analysis of beam structures, specifically using Ansys software.
• Hands-on lab experience in 2D/3D cell culture and 3D bioprinting.
• Demonstrated problem-solving abilities, strong personal motivation, and excellent communication skills. Experienced in collaborating with interdisciplinary teams and experimental researchers.

• Robert W. and Phyllis Anderson Construction Management and Civil Engineering Graduate Scholarship, 2023, Fargo, ND.
• International HPC Summer School Fellowship, 2023, Atlanta, GA.
• Society of Engineering Science Annual Technical Conference Travel Award, 2022, College Station, TX.
• Society of Women Engineers National Conference Collegiate Competitions Finalist Award, 2022, Houston, TX.
• NSF (ND EPSCoR ND-ACES) Doctoral STEM Teaching Assistantship Fellowship, North Dakota State University, 2022, Fargo, ND.
• IBM-Zerner Graduate Student Award, 61st Sanibel Symposium, 2022, St. Simons Island, GA.
• NSF (ND EPSCoR ND-ACES) Cyberinfrastructure (CI) Assistantship Fellowship, North Dakota State University, 2021, Fargo, ND.
• Best Graduate Research Assistant of Engineering College, Shahid Bahonar University of Kerman, 2019.
• Ranked 2nd among MS Graduate Students of Structural Engineering, School of Engineering, Shahid Bahonar University of Kerman, 2018.
• Top 10% of BS Undergraduate Students of Civil Engineering, School of Engineering, Shahid Bahonar University of Kerman, 2016.
• Top student among pre-university students. (GPA:3.83)

• Ghazanfari, S., Alesadi, A., Xia, W.,2023. (Under preparation)
• Ghazanfari, S., Han, Y., Xia, W., Kilin, D.,2023. Exploring Amino Acid Peptide Bond Formation/Break in Presence of Clay Surface: An Ab Initio Study. (Under review)
• Ghazanfari, S., Alesadi, A., Xia, W.,2023. Molecular Insights into the Temperature and Pressure Dependence of Mechanical Behavior and Dynamics of Na-Montmorillonite Clay. Nanoscale Advances.
• Ghazanfari, S., Han, Y., Xia, W., Kilin, D.,2022. The Journal of Physical Chemistry Letters, 13(19), 4257-4262.
• Ghazanfari, S., Faisal, HN., Katti, KS., Katti, DR. Xia, W., 2022. Langmuir, 38(16), 4859-4869. (Cover Article)
• Liao, Y., Li, Z., Ghazanfari, S., Fatima, Croll, A.B. and Xia, W., 2021. Langmuir, 37(28), pp.8627-8637.
• Ghazanfari, S., Hamzehei-Javaran, S., Alesadi, A., Shojaee, S. 2019. Mechanics of Advanced Materials and Structures, pp.1-9.
• Alesadi, A., Ghazanfari, S. and Shojaee, S., 2018. Thin-Walled Structures, 130, pp.313-320.

• American Society of Civil Engineers
• Society of Women Engineers
• Women in STEM

• Ghazanfari, S.,..., Xia, W., 2023. Exploring the Thermomechanical and Interfacial Behaviors of Nano-Clay Using Molecular Modeling. Engineering Mechanics Institute Conference. GA, USA.
• Ghazanfari, S.,..., Kilin, D., 2023. Exploring Amino Acid Peptide Bond Formation/Break in Presence of Clay Surface: An Ab Initio Study. Sanibel Symposium. FL, USA.
• Ghazanfari, S.,..., Xia, W., 2023. Exploring the Thermomechanical and Interfacial Behaviors of Clay Arabinoxylan Nanocomposite: A Molecular Dynamics Study. ND EPSCoR State Conference. ND, USA.
• Ghazanfari, S.,..., Xia, W., 2022. A Coarse-Grained Model for the Mechanical Behavior of Na- Montmorillonite Clay. Society of Women Engineer (SWE) Collegiate Poster and Rapid Fire Competition. TX, USA.
• Ghazanfari, S.,..., Xia, W., 2022. A Coarse-Grained Molecular Dynamics Simulation for the Mechanical Behavior of Na-Montmorillonite Clay. Society of Engineering Science Annual Technical Meeting. TX, USA.
• Ghazanfari, S.,..., Xia, W., 2022. A Coarse-Grained Model for the Mechanical Behavior of Na-Montmorillonite Clay. Engineering Mechanics Institute Conference. MD, USA.
• Ghazanfari, S.,..., Xia, W., 2022. A Coarse-Grained Model for the Mechanical Behavior of Na-Montmorillonite Clay. ND EPSCoR State Conference. ND, USA.
• Ghazanfari, S.,..., Kilin, D., 2022. Optical and Photoluminescence Properties of Fe-doped Montmorillonite Clay. Bulletin of the American Chemical Society. CA, USA.
• Ghazanfari, S.,..., Kilin, D., 2022. First-Principles Study on optical and Photoluminescence Properties of Fe-doped Montmorillonite Clay. Sanibel Symposium. GA, USA.