Description: Computational Materials Site
henri (71) materials science (48) computational modeling (9) computational materials science (7) metal-organic frameworks (7) bulk metallic glass (3) advanced batteries (2) dr. greaney (1) alex greaney (1) thermoelectric silicon (1)
Using a combination of theory and simulation we aim to understand and address fundamental problems in materials science. We apply the understanding we gain towards designing materials that impact the way we liveā¤smart materials for chemical sensing, nanostructured materials, and materials for energy efficiency.
We believe that computationally based investigation is a true “third pillar” of science, and that when performed well can lead to new insights that are less easily attained by either theory and experiment alone. With the ever decreasing cost of computing power and rapid advances in algorithm development, the role of computation in scientific investigation is becoming ever more prominent.
Currently our research interests are focused on thermal and mechanical properties of nanostructured materials and devices. This includes finding new ways of controlling heat and new ways of adding value to heat, as well as invention of new nanoscale devices and ways of computationally assessing such devices.