Prof. Mohamed Sheik Sirajuddeen Mohamed Abdullah is an accomplished Associate Professor in the Department of Physics, specializing in Computational Materials Science, with a distinguished career spanning over 21 years in teaching and 10 years in research. He holds a Ph.D. in Condensed Matter Physics from Anna University, Chennai, an M.Phil. in Physics from Manonmaniam Sundaranar University, an M.Sc. in Physics from Bharathidasan University, and a B.Sc. in Physics from the University of Madras. Prof. Sirajuddeen has made significant contributions to computational materials science through advanced simulations, density functional theory (DFT), and nuclear materials analysis, focusing on the structural, electronic, optical, elastic, and thermodynamic properties of novel materials including perovskites, lead-free compounds, and spintronic systems for optoelectronic and energy applications. His professional experience includes designing advanced physics curricula, establishing computational labs, mentoring Ph.D. scholars, leading department accreditations, and conducting corporate technical training programs. His research interests encompass computational modeling of materials, nuclear security, sustainable energy technologies, and AI-driven materials engineering. Prof. Sirajuddeen’s technical skills include proficiency in Fortran, C, FP-LAPW, TB-mBJ methods, VASP codes, Materials Studio, and Linux/Ubuntu systems, with additional expertise in research article review and nuclear safety certifications from the IAEA. He has published 38 research documents, garnering 339 citations with an h-index of 11, reflecting his influence and impact in the field. Prof. Sirajuddeen’s awards and honors include the Excellent Teaching Award (2019), Best Paper Award at Anna University, and multiple editorial board memberships. He has actively participated in international workshops, including ICTP-IAEA programs, and contributed to developing global elective courses on nuclear advocacy and materials science. In conclusion, Prof. Mohamed Sheik Sirajuddeen combines outstanding teaching, research excellence, and international engagement, positioning him as a leading figure in computational materials science with strong potential to advance sustainable technologies, nuclear security, and innovative materials research globally.

Profiles: Scopus | ORCID | LinkedIn

Featured Publications

1. Ajay, G., Ashwin, V., & Sheik Sirajuddeen, M. M. (2025, October). DFT-based investigation on novel lead-free inorganic cubic halide double perovskite Cs₂LiInX₆ (X = Br and I) for energy harvesting device applications. Computational Condensed Matter, 5, e01155.

2. Hussain, M. M. S., Mohamed, S. B., & Sheik Sirajuddeen, M. M. (2025, October). Pressure induced DFT study on structural, electronic, optical, and thermodynamic properties of lead free InXF₃ (X = Sr and Ba) for optoelectronic applications. Computational Condensed Matter, 5, e01077.

3. Ashwin, V., Sirajuddeen, M. M. S., & Ajay, G. (2024, September). Dynamical stability, electronic and optical properties of AcAlO₃ perovskite using mBJ and hybrid functionals: A DFT approach. Computational Condensed Matter, 4, e00930.

4. Kaleemullah, N. S., Mohamed, S. B., Ramakrishnan, P., Ashwin, V., & Sheik Sirajuddeen, M. M. (2024, September). Study of optical responsivity and electronic properties of ternary halide perovskite semiconductors – CaKI₃ and CaRbI₃ for optoelectronic applications: A DFT approach. Computational Condensed Matter, 4, e00939.

5. Hussain, M. M. S., Kaleemullah, N. S., Ajay, G., & Sheik Sirajuddeen, M. M. (2024, September 1). A DFT study on structural, electronic, and optical properties of cubic perovskite semiconductors InXF₃ (X = Be and Ca) for optoelectronic applications. Modelling and Simulation in Materials Science and Engineering, 32, ad5a2c.