This award will study the details of microscopic structural changes resulting from ultrafast processes driven by laser and/or matter-particle collisions with symmetric-shaped molecules. The molecules and processes are chosen on the basis of their fundamental properties and behavior to advance the frontier of basic scientific knowledge in Physics and Chemistry. The studies are relevant to a wide array of applications, including in quantum computation, quantum information processing, molecular device & sensor design, organic solar-cell technology, hydrogen-molecule based energy production, photothermal cancer therapy, magnetic resonance imaging (MRI), and molecular-level slow electronics. While the primary research to be undertaken is based on computational simulations, collaborations with experimental groups will be developed, wherever possible, for the confirmation and extended understanding of the results. Meanwhile, undergraduate students, majoring in Physics, Chemistry, or even Computer Sciences, will be involved to enhance their educational experience and to motivate them for careers in research, industry, or academia. The scientific outcomes and the high level of student enthusiasm will be enhanced by the engagement of a Postdoctoral Fellow, providing advanced research/mentoring experiences. Finally, the development of machine learning algorithms for a future program will benefit from the knowledge learned and experience acquired. Preliminary computational methodologi