On Monday July 6th, the nanoHUB will be intermittently unavailable due to scheduled maintenance. We apologize for any inconvenience this may cause.
Find information on common issues.
Ask questions and find answers from other users.
Suggest a new site feature or improvement.
Check on status of your tickets.
Our group focuses on the development of predictive atomistic and molecular simulation methodologies to describe materials from first principles, their application to problems of technological importance and quantification of associated uncertainties. Application areas of interest include: coupled electronic, chemical and thermo-mechanical processes in devices of interest for nanoelectronics and energy as well as polymers and their composites, molecular solids and active materials, including shape memory and high-energy density materials.