Working with the nanoHUB, the Center of Integrated Nanomechanical Systems at UCB and the Molecular Foundry at LBNL have teamed up to develop new computational tools aimed at enabling cutting-edge nanoscience research. Our mission is to develop and deploy experimentally-driven tools for research and training in the electronic, mechanical, and optical properties of nanomaterials. Describe a new simulation tool that would substantially and beneficially impact nanoscience experiments, by allowing users of the tool to solve important problems, explore experimental phase space, and understand fundamental phenomena. The description must explain: (1) why this tool would have a major impact in nanoscience research, (2) how a user would interact with the tool, regarding both the input and output, and (3) what development steps are required to create such a tool, and (4) how the tool complements and fits in with existing capabilities of the nanoHUB.
