ICMP research develops and employs large-scale computational methods to examine the properties and functionalities of materials from an atomic level perspective. The ICMP approach is rooted in the fundamental aspects of condensed matter physics and the expression of quantum mechanics at the nanoscale. Of particular interest are low-dimensional materials, including those with intriguing electronic transport properties. Recent works have involved research in developing materials for desalination properties, and developing density functional theory based methods for understanding Raman spectra of two-dimensional materials. The research proceeds synergistically with engineers and experimentalists to optimize these materials, starting at the atomic level and targeting functionality.

The research performed at ICMP hinges on exploiting supercomputing resources for the identification, manipulation, and use of novel materials to bridge the gap between theory and application in a way that increases the rate of discovery and improves the methods used for energy storage and the development of electronics in fundamental ways.

Current materials of interest are: carbon nanoribbons, graphene oxide, phosphorene, transition metal dichalcogenides, carbon nanogyroids,...

© Vincent Meunier 2015, meuniv at rpi dot edu