1. Many-Body Second Order Green's Function Theory for Ab Initio Molecular Quantum Electrodynamics.
   A. Amini, J. Cerda, L. Mejía, A. Mandal. https://arxiv.org/abs/2606.26076 (2026). PDF
2. Design Rules for Open-Shell Molecular Wires: Insights from Correlated Many-Body Transport.
   M. Shiri, L. Mejía, I. Franco, T. Hansen, K. Wang. Nano Lett (2026). In Press.
3. Long-Range Resonant Charge Transport through Open-Shell Donor–Acceptor Macromolecules.
   S. Shen, M. Shiri, P. Mahalingam, C. Tang, T. Bills, A. J. Bushnell, T. A. Balandin, L. Mejía, H. Zhang, B. Xu, I. Franco, J. D. Azoulay, K. Wang. J. Am. Chem. Soc. 147, 24, 20310–20317 (2025). PDF
4. Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function.
   L. Mejia, S. Sharma, R. Baer, G. K. Chan, and E. Rabani. J. Chem. Theory Comput. 20, 7494-7502 (2024). PDF
5. Microscopic theory, analysis, and interpretation of conductance histograms in molecular junctions.
   L. Mejia, P. Cossio, I. Franco. Nature Commun. 14, 7646 (2023). PDF
6. Stochastic Real-Time Second-Order Green's Function Theory for Neutral Excitations in Molecules and Nanostructures.
   L. Mejia, J. Yin, D. R. Reichman, R. Baer, C. Yang, and E. Rabani. J. Chem. Theory Comput. 19, 5563−5571 (2023). PDF
7. Time Dependent Second Order Green's Function Theory for Neutral Excitations.
   W. Dou, J. Lee, J. Zhu, L. Mejia, D. R. Reichman, R. Baer, and E. Rabani. J. Chem. Theory Comput. 18, 5221-5232 (2022). PDF
8. Coherent and Incoherent Contributions to Molecular Electron Transport.
   L. Mejía, U. Kleinekathöfer, I. Franco. J. Chem. Phys. 156, 094302 (2022). PDF
9. Diels-Alder Reaction in a Molecular Junction
   L. Mejía, D. Garay-Ruiz, and I. Franco. J. Phys. Chem C. 125, 27, 14599–14606 (2021). PDF
10. Understanding the Conductance Dispersion of Single-Molecule Junctions
    Z. Li, L. Mejía, J. Marrs, H. Jeong, J. Hihath and I. Franco. J. Phys. Chem C. 125, 6, 3406–3414, (2021). PDF
11. Force-conductance spectroscopy of a single-molecule reaction
    L. Mejía, I. Franco. Chem. Sci. 10, 3249-3256, (2019). PDF
12. Effect of the Euclidean dimensionality on the energy transfer up-conversion luminescence.
    L. Mejía, C. Hadad. J. Photochem. Photobiol. A. 382, 111908 (2019) PDF
13. Signatures of Conformational Dynamics and Electrode-Molecule Interactions in the Conductance Profile During Pulling of Single-Molecule Junctions.
    L. Mejía, N. Renaud, I. Franco. J. Phys. Chem. Lett. 9, 4, 745–750 (2018). PDF
14. Activation and Diffusion of Ammonia Borane Hydrogen on Gold Tetramers
    L. Mejía, F. Ferraro, E. Osorio, C. Hadad. Int. J. Quantum Chem., 118, 13, e25567 (2018). PDF