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 Center for Computational Nanoscience (CCN) has significantly contributed to this increasingly interdisciplinary field. The Center has had an impact on increasing the visibility of Indiana’s active role in computational nanoscience as well as in solidifying its position as a leader in information and nanotechnology. In addition, the CCN has played a key role in training undergraduate and graduate students in nanoscience technology, enabling them to contribute to the growing nanotechnology industry.

Three related sub-projects were carried out in the initial phase of the Center:

These sub-projects have all represented strongly collaborative cutting edge research at the forefront of nanotechnology. Under Ball State's coordination, computational nanoscience researchers from Purdue University, University of Notre Dame, Valparaiso University, and Ohio University have participated in the Center.

Investigators from Five Institutions

  • Ball State University: Yong Joe, Mahfuza Khatun, Eric Hedin, Antonio Cancio, Ron Cosby (retired)
  • Ohio University: Sergio Ulloa, Greg Van Patten
  • Purdue University: Supriyo Datta, Mark Lundstrom, Gerhard Klimeck
  • University of Notre Dame: Craig Lent, Alexei Orlov, Greg Snider
  • Valparaiso University: Douglas Tougaw

Main Goals and Accomplishments of CCN Research

  • CCN research focuses on computational science in the emerging areas of nanoscience and nanotechnology. Computational science, which has emerged as a third way of doing research, one that complements theory and experiment, will play a key role in developing our understanding of materials at the nanometer scale and in development "by design" of new nanoscale materials and devices.
  • CCN research and teaching has catalyzed the integration of research and education in nanoscience and technology across disciplines within the five universities of the original collaboration. The creation of this center has played a major role in establishing a powerful computational nanoscience research and technology development base, and has helped Indiana attract federal research funding necessary to accomplish this. In addition, it has helped Indiana industry in research at an early stage so that it can better exploit the benefits of nanotechnology and provide employment for the highly-skilled graduates that the Center has prepared.
  • Research goals have been achieved through the cross-fertilization of ideas across disciplines and the flow of information among research groups through participation in local and regional conferences and workshops. Hence, the Center has contributed to promoting an open exchange of knowledge for students and participants.
  • A multi-university effort of workforce education and training of future high-technology workers is necessary for the rapid progress of nanoscience and Indiana's future nano-industries. An entirely new generation of graduates trained in the science underpinning nanotechnology will increasingly be needed. This Center has contributed to providing experiential-based training for our students, thereby helping to ensure that Indiana will be a technologically developed leader into the 21st Century.