Molecules-the smallest unit of matter with remarkable structural diversity-have been playing a pivotal role in today’s materials science, nanotechnology, and life science. The capability to manipulate physical and chemical behaviors of single molecules and understand how they respond to external stimuli represents important opportunities for optoelectronics, energy, and quantum applications. This talk will cover his recent studies and future vision on leveraging quantum transport in molecular-scale systems to address challenges in optoelectronics, energy harvesting, and nanosensing.