study@cuea.edu +254 (0) 709 691-000
study@cuea.edu +254 (0) 709 691-000

Dr. James Sifuna

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News and Events!

  1. African Materials Research Society Conference – University of Nairobi
    5th – 10th December 2026
  2. The African School of Physics – University of Nairobi
    15th – 29th June 2026
  3. East-Africa School on Density Functional Theory – University of Dodoma
    22nd – 26th June 2026
  4.  African School on Electronic Structure Methods and Applications
     – ASESMA 2025
    9th – 20th June 2025
    DONE
    ASESMA 2025 Group Photo

 

Lectures

Dr. James Sifuna

Condensed Matter Physicist & Head of Natural Science Department

If you’re a physicist with a passion for quantum mechanics, materials science, and open-source development, this page is built for minds like yours.

Whether you’re exploring how to apply your deep technical expertise in broader systems, or you’re curious about scaling your impact through educational leadership, planning, or consultancy—this page offers a gateway into transformative roles where scientific thinking meets strategic innovation.

It’s especially valuable for those who code, collaborate, and care about the intersection between advanced science, accessible education, and real-world problem solving.

 

TCMG Research Group

The Theoretical Condensed Matter Group (TCMG) is engaged in several exciting areas of study, with a particular focus on ferroelectrics, novel 2D materials, and the theory of interfaces. A significant portion of the group’s work is centered on understanding the behavior of ferroelectrics and exploring innovative approaches to stabilizing charged domain walls within these materials. This research is essential for advancing the functionality and application of ferroelectrics in various technologies.

The group employs cutting-edge computational tools to support their research, including the SIESTA code, developed through collaboration with Spanish researchers, and the SCALE-UP code, developed by a team at the University of Cantabria, Spain. These open-source tools play a critical role in simulating and analyzing the complex systems at the heart of the group’s studies.

In addition to their work on ferroelectrics, the group is also investigating novel 2D materials, with a particular focus on their unique properties and potential applications. The integration of interface theory into these studies allows the team to gain deeper insights into the behaviors of materials at the atomic scale, paving the way for future advancements in material science.

TCMG Research Group Activities in Pictures

Education

  • PhD Fellowship - Physics of Condensed Matter Systems, University of Cantabria, Spain
  • Ph.D., Physics (Condensed Matter Systems), The Technical University of Kenya
  • M.S.c., Physics (Condensed Matter Systems), Masinde Muliro University of Science & Technology
  • B.E.d. (Sci), Physics & Mathematics, Masinde Muliro University of Science & Technology

Peer reviewed Publications - (2016 to 2025)

  1. Mustafa, Muhammad Amer, Shanawer Niaz, Aftab Ahmad, Syed Zuhair Abbas Shah, and James Sifuna. (2025). Strain-dependent structural, electronic and magnetic properties of ordered double transition Cr2TiC2F2 MXene through first principles study. Solid State Communications, 115999.

  2. Chege, S., Bastogne, L., Gómez-Ortiz, F., Sifuna, J., Amolo, G., Ghosez, P., and Junquera, J. (2025). Strain dependence of the Bloch domain component in 180° domains in bulk PbTiO3 from first-principles. arXiv:2505.08436.

  3. Syed Zuhair Abbas Shah, Adeela Afzal, Fawad Khan, Saima Zafar, James Sifuna, Abdelmohsen A. Nassani, Sana Ullah Asif, and Zeesham Abbas. (2025). Small Band Gap Pb-free Double Perovskites X2NaSbBr6 (X=Na, Li): A Study of the Stabilities, Opto-electronic and Thermoelectric Aspects from the First-Principles Approach. Computational Condensed Matter, 2352-2143.

  4. Syed Zuhair Abbas Shah, Dildar Hussain, Zeesham Abbas, Shanawer Niaz, Amna Parveen, James Sifuna, Shabbir Muhammad, and Aijaz Rasool Chaudhry. (2024). Unveiling the DFT perspectives on structural, elastic, optoelectronic, and thermoelectric properties of zirconate perovskites XZrO3 (X = Ca, Sr, Ba). Inorganic Chemistry Communications, 163, 1387-7003.

  5. Syed Zuhair Abbas Shah, Shanawer Niaz, Tabassum Nasir, James Sifuna, and Shahid M. Ramay. (2023). A DFT computational design and exploration of direct band gap silver-thallium double perovskites. Materials Science and Engineering: B, 298, 116846.

  6. Juma Wanyama, K., Nyawere, P., & Sifuna, J. (2023). An ab Initio Study of Mechanical and Electronic Properties of Stable Phases of CsXBr3 (X = Ge, Si) Compounds for Solar Cell Applications. Open Journal of Microphysics, 13, 15–26.

  7. Syed Zuhair Abbas Shah, Shanawer Niaz, Tabassum Nasir, & James Sifuna. (2023). First principles insight into band gap tuning in bismuth based double perovskites X2NaBiCl6 (X=Cs, Rb, K) for enhanced optoelectronic and thermoelectric properties. Results in Chemistry, 5, 100828.

  8. Fernando Gómez-Ortiz, Nayara Carral-Sainz, James Sifuna, Virginia Monteseguro, Ramón Cuadrado, Pablo García-Fernández, & Javier Junquera. (2023). Compatibility of DFT+U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals. Computer Physics Communications, 286, 108684.

  9. Syed Zuhair Abbas Shah, Shanawer Niaz, Tabassum Nasir, James Sifuna. (2022). Novel small band gap double perovskites comprising of silver and thallium: A DFT insight into structural, optoelectronic, and thermoelectric properties. arXiv:2204.12123

  10. Jasmine Wakini, Carolyne Songa, Stephen Chege, Felix O. Saouma, Elica Wabululu, P.W.O Nyawere, Victor Odari, James Sifuna, & George S. Manyali. (2022). Low Born effective Charges, High Covalency and Strong Optical Activity in X32+Bi3−N3− (X=Ca, Sr, Ba) inverse-perovskites. arXiv:2203.00359 [cond-mat.mtrl-sci]

  11. Chege, S., Ning’i, P., Sifuna, J., & Amolo, G. O. (2020). Origin of band inversion in topological Bi2Se3. AIP Advances, 10(9), 095018.

  12. Sifuna, J., García-Fernández, P., Manyali, G. S., Amolo, G., & Junquera, J. (2020). First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180∘ domain walls in PbTiO3 ferroelectric thin films. Physical Review B, 101(17), 174114.

  13. Patrick Ning’i, Stephen Chege, James Sifuna & George Amolo. (2020). Interplay of lattice distortion and bands near the Fermi level in ATiO3 (A=Ca, Sr, Ba). arXiv:2009.02529v1 [cond-mat.mtrl-sci]

  14. Sifuna, J., García-Fernández, P., Manyali, G., Amolo, G., & Junquera, J. (2020). Comparison of band-fitting and Wannier-based model construction for WSe2. MRS Advances, 5(44), 2281-2290.

  15. Sifuna, J., Manyali, G., Wabululu, E., Songa, C., Otieno, A., & Sironik, S. (2020). Ab initio study on Quasi-Binary Acetonitriletriide Sr3[C2N]2. arXiv:2001.01488

  16. Manyali, G. S., & Sifuna, J. (2019). Low compressible β-BP3N6. AIP Advances, 9(12), 125029.

  17. Mukasia, A., Manyali, G. S., Barasa, H., & Sifuna, J. (2019). Thermoelectric Properties of Zn-doped CdO. Journal of Materials Science Research and Reviews, 1–7.

  18. Sifuna, J., Manyali, G., Sakwa, T., & Manasse, K. (2017). Structural and Mechanical Properties of Bulk Scandium Trifluoride Investigated by First-Principles Calculations. JMEST, Vol. 4 Issue 2, 6663–6668.

  19. Otimo, S., Sakwa, T., Ayodo, Y. K., & Sifuna, J. (2017). Quantum Phase Transition: Intra and Inter-Band Interaction on D-Wave Superconductivity. World Journal of Applied Physics, Vol. 1, No. 2, 67–82.

  20. Sifuna, J., Manyali, G., Sakwa, T., & Mukasia, A. (2016). Computer Modeling for STEM Curriculum in Kenya: A Simulation-Based Approach to Science Education. Science Journal of Education, Vol. 4, No. 1.

Skills

Advanced mathematical and computational techniques - Open Source90%
Strong analytical and problem-solving abilities90%
Capacity to conduct independent research and interpret data100%