OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions. - Bharat Medasani; Sashank Kasiraju; Dionisios G. Vlachos (J. Chem. Inf. Model., 2023)

CKineticsDB─An Extensible and FAIR Data Management Framework and Datahub for Multiscale Modeling in Heterogeneous Catalysis. - Siddhant M. Lambor; Sashank Kasiraju; Dionisios G. Vlachos (J. Chem. Inf. Model., 2023)

A Python tool for parameter estimation of "black box" macro- and micro-kinetic models with Bayesian optimization - petBOA. - Sashank Kasiraju; Yifan Wang; Saurabh Bhandari; Aayush R. Singh; Dionisios G. Vlachos (Comput. Phys. Commun., 2025)