This paper researches the electronic characteristics of fullerenes as enabling multi-terminal carbon-based electronic nanodevices. The multi-valued I-V characteristics that can be uniquely utilized in novel three-dimensional (3D) computing architectures. This drastically improves the overall performance. Functionality, density, bandwidth, power losses and other critical performance characteristics of molecular electronic nanodevices significantly exceed the performance of conventional semiconductor devices. High-fidelity modeling, heterogeneous simulation and data-intensive analysis are performed utilizing the Green function formalism within the developed CAD software tools. The numerical studies favorably agree with the experimental results.