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)

Enzyme Substrate Prediction from Three-Dimensional Feature Representations Using Space-Filling Curves. - Dmitrij Rappoport; Adrian Jinich (J. Chem. Inf. Model., 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)