An ab initio approach to the calculation of current-voltage characteristics of programmable molecular devices. - Jorge M. Seminario; Luis E. Cordova; Pedro A. Derosa (Proc. IEEE, 2003)

A combined semiempirical-DFT study of oligomers within the finite-chain approximation, evolution from oligomers to polymers. - Pedro A. Derosa (J. Comput. Chem., 2009)

Simulation of transport and extravasation of nanoparticles in tumors which exhibit enhanced permeability and retention effect. - Vishwa Priya Podduturi; Isidro B. Magaña; D. Patrick O'Neal; Pedro A. Derosa (Comput. Methods Programs Biomed., 2013)