Amirhadi Alesadi

Accomplished computational scientist with expertise in multiscale modeling, machine learning, and materials science, complemented by nearly a decade of scientific/engineering experience. Proven track record in academia and industry, including peer-reviewed publications, lecturing, and leading innovative research in sustainable materials. Passionate about mentoring the next generation of engineers and scientists by integrating theoretical knowledge with practical applications to solve complex, real-world challenges.

• Graduate Research Assistant of the Year, College of Engineering, North Dakota State University, 2022, Fargo, ND.
• IBM-Zerner Graduate Student Award, 61st Sanibel Symposium, 2022, St. Simons Island, GA.
• Best Poster Presentation Award, Computational Approaches Pillar, ND EPSCoR annual conference, 2022, Grand Forks, ND.

• Li, Z., ..., Alesadi, A. Xia, W., 2024. Modeling-driven materials by design for conjugated polymers: insights into optoelectronic, conformational, and thermomechanical properties. Chemical Communications, 60(82), pp.11625-11641.
• Cao, Z., ..., Alesadi, A. Rondeau-Gagné, S., 2023. Probing single-chain conformation and its impact on the optoelectronic properties of donor–accepter conjugated polymers. Journal of Materials Chemistry A, 11(24), pp.12928-12940.
• 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, 5(20), pp.5449-5459.
• Alesadi, A., …, Gu, X, and Xia, W. 2022. Machine Learning Prediction of Glass Transition Temperature of Conjugated Polymers from Chemical Structure. Cell Reports Physical Science, 3, p. 100911.
• Alesadi, A., Xia, W, and Kilin, D. 2022. Photo-induced Charge Transfer of Fullerene and Non-fullerene Conjugated Polymer Blends via ab initio Excited-state Dynamics. The Journal of Physical Chemistry C. In press.
• Alesadi, A., Fatima, F., Xia, W, and Kilin, D. 2021. First principle study of electronic structures of conjugated polymers via density functional theory. Journal of Physical Chemistry B, 125(31), pp.8953-8964
• Karuth, A., Alesadi, A., Xia, W. and Rasulev, B., 2021. Predicting Glass Transition of Amorphous Polymers by Application of Cheminformatics and Molecular Dynamics Simulations. Polymer, p.123495.
• Zhang, S., Alesadi, A., Xia, W. and Gu, X., 2020. Molecular Origin of Strain‐Induced Chain Alignment in PDPP‐Based Semiconducting Polymeric Thin Films. Advanced Functional Materials, p.2100161.
• Zhang, S., Alesadi, A., …, Xia, W. and Gu, X., 2020. Toward the Prediction and Control of Glass Transition Temperature for Donor–Acceptor Polymers. Advanced Functional Materials, p.2002221.
• Alesadi, A. and Xia, W. 2020. Understanding the Role of Cohesive Interaction in Mechanical Behavior of a Glassy Polymer. Macromolecules, 53(7), pp.2754-2763.
• Ghazanfari, S., Hamzehei-Javaran, S., Alesadi, A. and Shojaee, S., 2019. Free vibration analysis of cross-ply laminated beam structures using refined beam theories and B-spline basis functions. Mechanics of Advanced Materials and Structures, pp.1-9.
• Alesadi, A., Shojaee, S. and Hamzehei-Javaran, S. 2019. Spherical Hankel-Based Free Vibration Analysis of Cross-ply Laminated Plates Using Refined Finite Element Theories. Iranian Journal of Science and Technology, Transactions of Civil Engineering, pp.1-11.
• Alesadi, A., Galehdari, M., & Shojaee, S. 2018. Free vibration and buckling analysis of composite laminated plates using layerwise models based on Isogeometric approach and Carrera unified formulation. Mechanics of Advanced Materials and Structures, 25(12), pp.1018-1032.
• Alesadi, A., Ghazanfari, S., & Shojaee, S. 2018. B-spline finite element approach for the analysis of thin-walled beam structures based on 1D refined theories using Carrera unified formulation. Thin-Walled Structures, 130, pp.313-320.
• Alesadi, A., Galehdari, M., & Shojaee, S. 2017. Free vibration and buckling analysis of cross-ply laminated composite plates using Carrera's unified formulation based on Isogeometric approach. Computers & Structures, 183, pp.38-47.

• Alesadi, A., ..., Xia, W., 2022. A Machine Learning Approach to Predict the Glass Transition Temperature of Conjugated Polymers from Chemical Structure. Engineering Mechanics Institute (EMI). MD, USA.
• Alesadi, A., Xia, W. and Kilin, D., 2022. Photo-induced Charge Transfer of Fullerene and Non-Fullerene Conjugated Polymer Blends via Density Functional Theory. Bulletin of the American Physical Society. IL, USA.
• Alesadi, A., Xia, W. and Kilin, D., 2022. Photo-induced Charge Transfer of Fullerene and Non-Fullerene Conjugated Polymer Blends via Density Functional Theory. Sanibel Symposium. GA, USA.
• Xia, W., Alesadi, A., ..., 2022. Predicting the Glass Transition of Complex Polymers via Integration of Machine Learning, Theory, and Molecular Simulations. Bulletin of the American Physical Society. IL, USA.
• Zhang, S., Alesadi, A., Selivanova, M., Xia, W., and Gu, X., 2021. Molecular origin of strain-induced chain alignment in PDPP-based semiconducting polymers. Bulletin of the American Physical Society. CO, USA.
• Zhang, S., Alesadi, A., …, Xia, W., and Gu, X., 2020. Towards the prediction and design of low-glass transition Donor-Acceptor semiconducting polymers. Bulletin of the American Physical Society. CO, USA.
• Xia, W. and Alesadi, A., 2020. Predicting the glass transition behaviors of polymers via integration of molecular simulations, theory, and machine learning. Bulletin of the American Physical Society. CO, USA.
• Alesadi, A., Xia, W., 2019. Understanding the mechanical behavior of glassy polymer via coarse-grained molecular dynamics simulation. NDSU-KU Joint Symposium on Biotechnology, Nanomaterials and Polymers, ND, USA.

Wenjie Xia, Assistant Professor, Ph.D. advisor

Department of Civil and Environmental Engineering, North Dakota State University, Fargo, ND, USA.

wenjie.xia@ndsu.edu

Dmitri Kilin, Associate Professor

Department of Chemistry and Biochemistry, North Dakota State University, Fargo, ND, USA.

dmitri.Kilin@ndsu.edu

Xiaodan Gu, Assistant Professor

School of Polymer Science and Engineering, University of Southern Mississippi, Hattiesburg, MS, USA.

xiaodan.gu@usm.edu

Bakhtiyor Rasulev, Associate Professor

Department of Coatings and Polymeric Materials, North Dakota State University, Fargo, ND, USA.

bakhtiyor.rasulev@ndsu.edu