Final Report on ECCS/NSF Workshop on Quantum, Molecular and High Performance Modeling and Simulation for Devices and Systems (QMHP)

The National Science Foundation has identified a new thrust area in Quantum, Molecular and High Performance Modeling and Simulation for Devices and Systems (QMHP) in its core program. The main purpose of this thrust area is to capture scientific opportunities that result from new fundamental cross-cutting research involving three core research communities: (1) experts in modeling and simulation of electronic devices and systems; (2) high performance computing relevant to devices and systems; and (3) the quantum many-body principles relevant to devices and systems. ECCS is especially interested in learning how work in these areas could enable whole new classes of systems or devices, beyond what is already under development in existing mainstream research. The workshop helped identify technical areas that will enable fundamental breakthroughs in the future. Modeling and simulation in the electronics and optoelectronics areas, in general, have already resulted in important fundamental scientific understanding and advances in design and development of devices and systems. With the increasing emphasis on the next generation of devices and systems at the nano, micro, and macro scales and the interdisciplinary nature of the research, it is imperative that we explore new mathematical models and simulation techniques. This workshop report provides a better understanding of unmet emerging new opportunities to improve modeling, simulation and design techniques for hybrid devices and systems. The purpose the QMHP workshop was to define the field and strengthen the focus of the thrust. The ultimate goal of the workshop was to produce a final report (this document) that will be posted on the web so that the NSF can use it to guide reviewers and researchers in this field.