Applying Time-dependent Density Functional Theory's Linear Response to π molecular systems for electronic excitation properties - Luke Nambi Mohanam (2021)

Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations. - Dmitrij Rappoport; Samuel Bekoe; Luke Nambi Mohanam; Scott Le; Naje' George; Ziyue Shen; Filipp Furche (J. Comput. Chem., 2023)

Mechanism of the Non-Kasha Fluorescence in Pyrene. - Sourav Majumdar; Robin Grotjahn; Ahmadreza Rajabi; Bibo Feng; Luke Nambi Mohanam; Gabriel S. Phun; Nicolas Lutfi; Mohammad Khan; Dmitrij Rappoport; Filipp Furche (J. Comput. Chem., 2025)

Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning. - Peter Mastracco; Luke Nambi Mohanam; Giacomo Nagaro; Sangram Prusty; Younghoon Oh; Ruqian Wu; Qiang Cui; Allon I. Hochbaum; Stacy M. Copp; Sahar Sharifzadeh (J. Chem. Inf. Model., 2025)