🎓 Education 

Maryam Mohammadi’s academic path reflects a deep commitment to the sciences, particularly chemistry. She earned her Ph.D. in Physical Chemistry from the University of Kashan in 2023, focusing on computational chemistry and nanomaterials. Her doctoral studies emphasized advanced simulation techniques and theoretical analysis, laying a strong foundation for independent research. She previously obtained her M.Sc. in Physical Chemistry from the same university in 2013, where she began developing her skills in molecular modeling and physical theory. Her academic journey began with a B.Sc. in Applied Chemistry from the University of Isfahan in 2011, where she acquired a robust understanding of analytical, inorganic, and physical chemistry. Throughout her studies, Maryam maintained a strong academic record and participated in scientific activities and workshops, further enriching her practical and theoretical expertise. Her educational background uniquely positions her at the intersection of chemistry, physics, and computational science.

🏗 Experience 

Maryam has over a decade of experience in academia and research. Her expertise spans computational chemistry, materials science, and physical chemistry, with a strong focus on DFT-based simulations. She presented her first major scientific work in 2013 at the 16th Iranian Conference on Physical Chemistry, showcasing molecular dynamics simulations of amino acid interactions with boron nitride nanotubes. Since then, her work has evolved into high-impact research on black phosphorene, with recent ISI publications exploring its adsorption properties and sensing capabilities. As a university lecturer, Maryam has taught Physical Chemistry and General Chemistry I & II, imparting knowledge to undergraduate students. She also served as a high school chemistry instructor, demonstrating her versatility and dedication to science education. Her research experience is complemented by proficiency in several computational tools and an ability to work across interdisciplinary areas, combining chemistry, physics, and material science in meaningful ways.

🏆 Awards & Honors 

Maryam Mohammadi has been recognized for her academic potential and contributions to scientific research. Notably, she was selected as a Young Scientist Awards Candidate by the Applied Surface Science Journal, an honor that reflects her growing impact in the field of surface chemistry and nanomaterials. She was also acknowledged as a Zoology Honour Awards Candidate by the same journal, which suggests interdisciplinary relevance and scientific excellence. In addition to these accolades, she holds a Teaching Certificate from the Isfahan Teacher Training Center, showcasing her commitment to education and professional development. Maryam has participated in multiple scientific workshops, where she received certifications that enhanced her technical and research skills. These achievements affirm her status as a rising researcher and educator, with recognition both from academic institutions and respected scientific communities.

🔬 Research Focus

Maryam’s research is centered on computational modeling of nanomaterials, with a specific emphasis on Density Functional Theory (DFT) and molecular dynamics simulations. Her recent studies investigate the adsorption of pollutants and aromatic molecules on black phosphorene surfaces—a novel material with potential applications in chemical sensing and environmental monitoring. She also explores how strain and charge manipulation can enhance the sensitivity and selectivity of nanomaterials, contributing to the development of next-generation sensors. Her work with boron nitride nanotubes and amino acids further demonstrates her versatility in both biological and inorganic systems. By integrating computational tools such as Gaussian, Quantum Espresso, and Materials Studio, she models atomic-level interactions to predict real-world chemical behavior. Her research bridges theory and application, aiming to contribute to sustainable technologies and novel material innovations.

🛠 Skills 

Maryam possesses a strong suite of technical and analytical skills, particularly in computational and theoretical chemistry. She is proficient in industry-standard software such as Gaussian, Quantum Espresso, Materials Studio, DL-Poly, and Origin, as well as operating within Linux environments. She applies Density Functional Theory (DFT) and molecular dynamics simulations to explore molecular behavior and material properties. Additionally, she is well-versed in Bader and Mulliken Charge Analysis, the DFT-D2 dispersion correction method, and data visualization techniques. Her command of Microsoft Office and general data management software supports her research documentation and reporting tasks. Beyond research, her teaching experience shows effective communication and curriculum development skills. Maryam’s ability to merge computational expertise with strong theoretical foundations enables her to tackle complex scientific challenges with precision and creativity.