Computational Nanoscience

Project Summary and Research

Project Summary

Computational nanoscience promises to be a dominant force in our society in the coming decades. The emergence of genuinely new phenomena at the nanoscale creates a great need for theory, modeling and large-scale computer simulation in order to understand the new nanoscale phenomena and regime. The proposed Center for computational nanoscience will be a major component of this increasingly interdisciplinary field. We seek to establish a center with an impact which will increase the visibility of Indiana as the center of activity in computational nanoscience as well as solidify its position as a leader in information and nanotechnology, and hence help to attract substantial federal and industrial research funds. In addition, it will help involve Indiana industry in the research at an early stage so that they can exploit the benefits of nanotechnology. Quantum dots and dot ensembles constitute the theme or common area of the proposed research. In the spectrum of nanotechnologies, these nanosystems have the potential for early development and manufacture of new optical and electronic devices. Three sub-projects support the research theme: by examining different kinds of electron and energy transfer mechanisms, a study of Coupled Quantum Dot Ensembles complements research on Quantum-dot Cellular Automata, and A Computational Hub for Nanotechnology provides both computational research tools and an easy method for sharing simulation tools with industry. The sub-projects here all represent strongly collaborative cutting edge research at the forefront of nanotechnology. They will help promote cross- fertilization of new ideas and techniques within the Center. Our primary goal will be to transfer the technology of validated theory and computational tools from the academic-based Center to the practitioners' development environment which is nanotechnology-based industry. Under Ball State's coordination, computational nanoscience researchers from Purdue University, University of Notre Dame, Valparaiso University, and Ohio University will participate in the Center.

The research includes three sub-subjects:

1.    Coupled Quantum Dot Ensembles,
2.    Computational Hub for Nanotechnology
3.    Quantum-dot Cellular Automata Architecture (QCA).

The focus on this Center will be to:

  • study the electronic coupling of quantum dot ensembles and individual novel optical responses for semiconductor clusters as well as metallic clusters 
  • to support, develop and expand the nanoHUB as a platform for collaboration, technology transfer, and education and hence, to create a new kind of user facility
  • to arrange quantum dots such that they form QCA arrays which are predicted to have applications in computing
Center for Computational Nanoscience
Cooper Physical Science Building (CP), room 201
Ball State University
Muncie, IN 47306

Phone: 765-285-8879