1. Supka, A. R., Lyons, T. E., Liyanage, L., D’Amico, P., Al Orabi, R. A. R., Mahatara, S., Gopal, P., Toher, C., Ceresoli, D., Calzolari, A., et al. (2017). AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians. Computational Materials Science, 136:76--84. [PDF] from arxiv.org, Check @ Victoria
2. Gopal, P., Fornari, M., Curtarolo, S., Agapito, L. A., Liyanage, L. S., and Nardelli, M. B. (2015). Improved predictions of the physical properties of Zn-and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional. Phys. Rev. B, 91(24):245202. [PDF] from arxiv.org, Check @ Victoria
3. Dixit, V., Nandadasa, C. N., Kim, S.-G., Kim, S., Park, J., Hong, Y. g.-K., Liyanage, L. S. I., and Moitra, A. (2015). Site occupancy and magnetic properties of Al-substituted M-type strontium hexaferrite. Journal of applied physics, 117(24):243904. [PDF] from arxiv.org
4. Park, J., Hong, Y.-K., Kim, S.-G., Kim, S., Liyanage, L. S., Lee, J., Lee, W., Abo, G. S., Hur, K.-H., and An, S.-Y. (2014). Maximum energy product at elevated temperatures for hexagonal strontium ferrite (SrFe12O19) magnet. Journal of Magnetism and Magnetic Materials, 355:1--6. [PDF] from researchgate.net, Check @ Victoria. 
5. Liyanage, L. S., Kim, S.-G., Houze, J., Kim, S., Tschopp, M. A., Baskes, M. I., and Horstemeyer, M. F. (2014). Structural, elastic, and thermal properties of cementite (Fe₃C) calculated using a modified embedded atom method. Physical Review B, 89(9):094102. [PDF] from arxiv.org, Check @ Victoria
6. Liyanage, L. S., Kim, S., Hong, Y.-K., Park, J.-H., Erwin, S. C., and Kim, S.-G. (2013). Theory of magnetic enhancement in strontium hexaferrite through Zn–Sn pair substitution. Journal of Magnetism and Magnetic Materials, 348:75--81. [PDF] from arxiv.org, Check @ Victoria
7. Kim, S.-G., Horstemeyer, M., Baskes, M., Rais-Rohani, M., Kim, S., Jelinek, B., Houze, J., Moitra, A., and Liyanage, L. (2009). Semi-empirical potential methods for atomistic simulations of metals and their construction procedures. Journal of Engineering Materials and Technology, 131(4):041210. [PDF] from academia.edu
8. Manjaree, B, Liyanage, L S I, Rupasinghe, T P, Tillekaratne, A, Silva, K M N de, Model for Integration of Technology in Authentic Education-An interpretation of a literature Review, International Conference on Advances in Computing and Technology (ICATC), 2021, Faculty of Computing and Technology (FCT), University of Kelaniya, Sri Lanka
9. Veremyev, A, Liyanage, L, Fornari, M, et al. Networks of materials: Construction and structural analysis. AIChE J. 2021; 67:e17051. doi: 10.1002/aic.17051
10. Liyanage, Laalitha S. I., S lawi´nska, J., Gopal, P., Curtarolo, S., Fornari, M., (2020), ”High-Throughput Computational Search for Half-Metallic Oxides”,Molecules 2020 25 (9), 2010, doi: 10.3390/molecules25092010
11. Veremyev, A, Liyanage, L, Fornari, M, et al. Networks of materials: Construction and structural analysis. AIChE J. 2020;e17051. doi: 10.1002/aic.17051
12. Toher C. et al. (2018) The AFLOW Fleet for Materials Discovery. In: Andreoni W., Yip S. (eds) Handbook of Materials Modeling. Springer, Cham. doi: 10.1007/978-3-319-42913-7 63-1
13. Liyanage, L.S.I., Kim, S.-G., Houze, J., Kim, S., Tschopp, M.A., Baskes, M.I. and Horstemeyer, M.F. (2018). From Electrons to Atoms: Designing an Interatomic Potential for Fe–C Alloys. Integrated Computational Materials Engineering (ICME) for Metals, M.F. Horstemeyer (Ed.) doi: 10.1002/9781119018377.ch2
14. Nardelli, Marco Buongiorno, Frank T. Cerasoli, Marcio Costa, Stefano Curtarolo, Riccardo De Gennaro, Marco Fornari, Laalitha Liyanage, Andrew R. Supka, and Haihang Wang. ”PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials.” Computational Materials Science 143 (2018): 462-472. doi: 10.1016/j.commatsci.2017.11.034
15. Supka, Andrew R., Troy E. Lyons, Laalitha Liyanage, Pino D’Amico, Rabih Al Rahal Al Orabi, Sharad Mahatara, Priya Gopal et al. ”AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians.” Computational Materials Science 136 (2017): 76-84. doi: 10.1016/j.commatsci.2017.03.055
16. Gopal, Priya and Fornari, Marco and Curtarolo, Stefano and Agapito, Luis A. and Liyanage, Laalitha S.I. and Nardelli, Marco Buongiorno “Improved predictions of the physical properties of Zn-and Cd- based wide band-gap semiconductors: A validation of the ACBN0 functional”, Phys. Rev. B 91, 245202 (2015) doi: 10.1103/PhysRevB.91.245202
17. Dixit, Vivek and Nandadasa, Chandani N. and Kim, Seong-Gon and Kim, Sungho and Park, Jihoon and Hong, Yang-Ki and Liyanage, Laalitha S. I. and Moitra, Amitava, “Site occupancy and magnetic properties of Al-substituted M-type strontium hexaferrite”, J. Appl. Phys. 117, 243904 (2015) doi: 10.1063/1.4922867
18. Liyanage, Laalitha S. I. and Kim, Seong-Gon and Houze, Jeff and Kim, Sungho and Tschopp, Mark A. and Baskes, M. I. and Horstemeyer, M. F.“Structural, elastic, and thermal properties of cementite (Fe3C) calculated using a modified embedded atom method.”, Phys. Rev. B 89, 094102 (2014) doi: 10.1103/PhysRevB.89.094102
19. Jihoon Park, Yang-Ki Hong, Seong-Gon Kim, Sungho Kim, Laalitha S.I. Liyanage, Jaejin Lee, Woncheol Lee, Gavin S. Abo, Kang-Heon Hur, Sung-Yong An, Maximum energy product at elevated temperatures for hexagonal strontium ferrite (SrFe12O19) magnet”, Journal of Magnetism and Magnetic Materials, 355, pp1–6 (2014) doi: 10.1016/j.jmmm.2013.11.032
20. Liyanage, Laalitha S. I.; Kim, Sungho; Hong, Yang-Ki; Park, Ji-Hoon;Erwin, Steven; Kim, Seong-Gon, “Theory of magnetic enhancement in strontium hexaferrite through Zn–Sn pair substitution,” Journal of Magnetism and Magnetic Materials 348, pp75–81 (2013) doi: 10.1016/j.jmmm.2013.08.006
21. Kim, Seong-Gon; Horstemeyer, M. F.; Baskes, M. I.; Rais-Rohani, Masoud; Kim, Sungho; Jelinek, B.; Houze, J.; Moitra, Amitava; Liyanage, Laalitha “Semi-Empirical Potential Methods for Atomistic Simulations of Metals and Their Construction Procedures,” J. Eng. Mater. Technol. 131, 041210 (2009), doi: 10.1115/1.3183784

Conference Abstracts

1. Eaton, M., Sirikumara, H., Samassekou, H., Mazumdar, D., Jayasekera, T., Liyanage, L., and Buongiorno Nardelli, M. (2016). Optical and Electronic Properties of doped-MoS₂ : Joint Theoretical/Experimental Study. In APS Meeting Abstracts. Check @ Victoria
2. Gopal, P., Liyanage, L., Agapito, L., Lee, S., Takeuchi, I., Hart, G., Curtarolo, S., Fornari, M., and Buongiorno Nardelli, M. (2016). ACBN0-tool for accelerated materials discovery. In APS Meeting Abstracts. Check @ Victoria
3. Liyanage, L., Supka, A., Gopal, P., Agapito, L., Hart, G., Fornari, M., Curtarolo, S., and Nardelli, M. B. (2016). High-throughput determination of Hubbard U for cubic perovskites using the ACBN0 functional. In APS Meeting Abstracts. Check @ Victoria
4. Liyanage, L., Gopal, P., Agapito, L., Fornari, M., Curtarolo, S., and Buongiorno Nardelli, M. (2015). Bulk and surface properties of rutile TiO₂: an ACBN0 case study. Bulletin of the American Physical Society, 60.
5. Liyanage, L., Houze, J., Kim, S.-G., Tschopp, M., Kim, S., Baskes, M., and Horstemeyer, M. (2012). Structural, elastic and thermal properties of cementite from Modified Embedded Atom Method (MEAM) potential. In APS Meeting Abstracts. Check @ Victoria
6. Kim, S.-G., Liyanage, L., Houze, J., and Kim, S. (2012). First principles study of magnetic properties of Zn-Sn substituted M-type Sr-hexaferrite. In APS Meeting Abstracts. Check @ Victoria
7. Liyanage, L., Houze, J., Kim, S.-G., Tschopp, M., Kim, S., Baskes, M., and Horstemeyer, M. (2011). Modified Embedded Atom Method potential for Fe-C system. In APS Meeting Abstracts. Check @ Victoria
8. Liyanage, L., Houze, J., Kim, S., Horstemeyer, M., and Kim, S.-G. (2009). An ab initio study of the crystal structure of the Tau-phase in Al-Mg-Zn alloys. In APS Meeting Abstracts, volume 1, page 23013.
9. Liyanage, L., Jelinek, B., Kim, S., Horstemeyer, M. F., and Kim, S. G. (2008). Calculation of Absorption Energies Using EAM Potential for Al-Mg alloy systems. In APS Meeting Abstracts.
10. Moitra, A., Kim, S., Houze, J., Jelinek, B., Liyanage, L., Horstemeyer, M. F., and Kim, S.-G. (2008). Embedded Atom Method (EAM) Interatomic Potential for Zinc (Zn). In APS Meeting Abstracts.

PhD dissertation

1. Liyanage, L. S. (2012). Investigation of structure-property relationships in materials using Ab-initio and Semi-empirical methods. PhD thesis, Mississippi State University.