Chinonso Ugwumadu, Physicist
Los Alamos National Laboratory Materials Theory Group: Ohio University

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Publications

Streamlit Apps (source-code available on GitHub)

  1. Porous Carbon Constructor [link]
  2. Amorphous Graphite Constructor [link]
  3. Multi-shell Fullerene Constructor [link]
  4. Multi-walled Carbon Nanotube Constructor [link]
  5. PowerModel-AI ML App [link]

Thesis & Dissertation

  1. C. Ugwumadu,  “Theory of Carbonaceous Materials,” Doctoral dissertation, Ohio University. 2024.
  2. C. Ugwumadu, “Comparison of Theoretical and Experimental Values of Relative Yields of Mo L Transitions Induced by Low Energy Proton Beams,” M.Sc Thesis, Obafemi Awolowo University, 2017.
  3. C. Ugwumadu, “INAA Elemental Analysis of Shale Samples from Oil Wells in Niger-Delta, Nigeria,” B.Sc. Thesis, Obafemi Awolowo University, 2013.

.Academic Research Papers

  1.  C. Ugwumadu, A. Gautam, Y. Lee and D. A. Drabold, Spatially local estimates of the thermal conductivity of materials, Submitted to Phys. Stat. Sol B (June, 2025) and on ArXiv. Notebook-lm summary here.
  2. C. Ugwumadu, D. A. Drabold and R. Tutchton, Effects of galactic irradiation on thermal and electronic transport in Tungsten, Phys. Stat. Sol. B (Accepted 21 May, 2025), Supplementary Material here.
  3. K. Nepal, A. Gautam, C. Ugwumadu, D.A. Drabold, New models of clean and hydrogenated amorphous silicon surfaces, JNCS, 123517, July, 2025.
  4. C. Ugwumadu, J. Taberez, D. A. Drabold and A. Pandey, PowerModel-AI: A First On-the-fly Machine-Learning Predictor for AC Power Flow Solutions, Energies, April 2025. Supporting data here.
  5.  A. Gautam, Y. Lee, C. Ugwumadu. K. Nepal, S. Nakhmanson and D. A. Drabold, Site-projected Thermal Conductivity, PSS-Rapid Research Letters, Jan. 2025. Cover for Feb. 2025 Issue (see here)
  6. K. Nepal, C. Ugwumadu, F. Kraft, J. Trembly, Y. Al-Majali, and D. A. Drabold, “The effects of crystal orientation and common coal impurities on electronic conductivity in copper-carbon composites,” Carbon, 119711, Oct. 2024.
  7. C. Ugwumadu, W. Downs, C. O’Brien, R. Thapa, R. Olson III, M. Ali, J. Trembly, Y. Al-Majali, and D. A. Drabold, “Atomistic-to-Continuum Modeling of Carbon Foam: A New Approach to Finite Element Simulation,” Carbon, 119506, 2024. Supporting data here.
  8. J. D. Morrow, C. Ugwumadu, D. A. Drabold, S. R. Elliott, A. L. Goodwin, and V. L. Deringer, “Understanding defects in amorphous silicon with million-atom simulations and machine learning,” Angewandte Chemie International Edition, e202403842, 2024.
  9. K. Nepal, C. Ugwumadu, A. Gautam, K. Kappagantula, and D. Drabold, “Electronic conductivity in metal-graphene composites: The role of disordered Carbon structures, defects, and impurities,” Journal of Physics: Materials, vol. 7, no. 2, p. 025 003, Feb. 2024.
  10. K. Nepal, C. Ugwumadu, K. N. Subedi, K. Kappagantula, and D. A. Drabold, “Physical origin of enhanced electrical conduction in aluminum-graphene composites,” Applied Physics Letters, vol. 124, no. 9, p. 091 902, Feb. 2024.
  11. C. Ugwumadu, D. A. Drabold, N. L. Smith, J. Trembly, R. Olson III, E. Shereda, Y. T. Almajali, “The Structure of Appalachian Coal: Experiments and Ab initio Modeling,” Carbon, vol. 225, no. 9, p. 119086, 2024.
  12. C. Ugwumadu, I. Olaniyan, H. Jeong, and D. Drabold, “Improved photocatalytic performance via air-plasma modification of Titanium dioxide: Insights from experimental and simulation investigation,” Materialwissenschaft und Werkstofftechnik, vol 55, no 4, p. 406-416, 2024.
  13. K. N. Subedi, K. Nepal, C. Ugwumadu, K. Kappagantula, and D. A. Drabold, “Electronic transport in Copper–graphene composites,” Applied Physics Letters, vol. 122, p. 031 903, 2023.
  14. C. Ugwumadu, R. Thapa, K. Nepal, and D. A. Drabold, “Atomistic nature of amorphous graphite,” vol. 64, Physics and Chemistry of Glasses, 2023, pp. 16–22.
  15. R. Thapa, C. Ugwumadu, K. Nepal, D. Drabold, and M. Shatnawi, “Ab initio simulation of amorphous GeSe3 and GeSe4,” Journal of Non-Crystalline Solids, vol. 601, p. 121 998, 2023, issn: 0022-3093.
  16. C. Ugwumadu, R. Olson-III, N. L. Smith, K. Nepal, Y. Al-Majali, J. Trembly, and D.A. Drabold, “Computer simulation of carbonization and graphitization of coal,”
    Nanotechnology, vol. 35, no. 9, p. 095 703, Dec. 2023.
  17. C. Ugwumadu, K. Nepal, R. Thapa, et al., “Simulation of multi-shell fullerenes using machine-learning Gaussian Approximation Potential,” Carbon Trends, vol. 10, p. 100239, 2023.
  18. C. Ugwumadu, K. Subedi, R. Thapa, et al., “Structure, vibrations and electronic transport in silicon suboxides: Application to physical unclonable functions,” Journal of Non-Crystalline Solids: X, vol. 18, p. 100179, 2023.
  19. C. Ugwumadu, R. Thapa, K. Nepal, et al., “Self-assembly and the properties of micro-mesoporous Carbon,” Journal of Chemical Theory and Computation, vol. 20, no. 4, p.1753–1762, 2023.
  20. C. Ugwumadu, R. Thapa, Y. Al-Majali, J. Trembly, and D. A. Drabold, “Formation of amorphous carbon multi-walled nanotubes from random initial configurations,” physica status solidi (b), vol. 260, no. 3, p. 2 200 527, 2023. Selected as the cover paper for the issue of March 2022 and also holds the record for the most downloaded PSS(b) paper in 2022 (WILEY certified).
  21. L. E. Veley, C. Ugwumadu, J. P. Trembly, D. A. Drabold, and Y. Al-Majali, “3D printing of sustainable coal polymer composites: Study of processing, mechanical performance, and atomistic matrix–filler interaction,” ACS Applied Polymer Materials, vol. 5, no. 11, pp. 9286–9296, 2023.
  22. R. Thapa, C. Ugwumadu, K. Nepal, J. Trembly, and D. A. Drabold, “Ab initio simulation of amorphous graphite,” Phys. Rev. Lett., vol. 128, p. 236 402, 23 Jun. 2022.
  23. O. Abiye, C. Ugwumadu, A. Kamara, J. Felizardo, and A. Sannoh, “Sensitivity calibrations of K-and L-shell X-ray Lines for elemental analysis of air particulate samples using a handheld XRF spectrometer,” Aerosol Science and Engineering,
    vol. 5, pp. 127–135, 2021.
  24. O. E. Abiye, O. J. Matthew, A. B. Rabiu, G. C. Ezeh, O. A. Akinola, G. Gerelmaa, C. E. Ugwumadu, and M. B. Latif, “Chemical footprints of harmattan dust and traffic corridor particulates monitored at two environmentally distinct geopolitical zones in Nigeria,” Environmental Science and Pollution Research,
    vol. 27, pp. 39 317–39 329, 2020.
  25. C. Ugwumadu, O. Ibukun, and H. K. Jeong, “Air plasma treated TiO2/MWCNT composite for enhanced photocatalytic activity,” Chemical Physics Letters, vol. 757, p. 137 850, 2020.
  26. C. Ugwumadu and H. K. Jeong, “Thermally reduced Graphite-oxide and Iron-oxide composite for supercapacitor applications,” New Physics (Saemulli), vol. 70, no. 3, pp. 239–244, 2020.
  27. F. S. Olise, A. D. Aladese, and C. E. Ugwumadu, “Calculation of L-shell ionisation and x-ray production cross sections for some trans-uranium elements induced by protons,” Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 436, pp. 156–162, 2018.