The conversion of energy from one form to another is governed by key optical. electronic, and mechanical behaviors. Our aim is to understand these properties in order to design new materials with greater efficiencies and lower costs. 
Our energy storage work focuses on the thermodynamic tunability of materials for chemical hydrogen storage as well as new materials for converting sunlight directly into stored heat in the form of chemical bonds. 
Knowing how to make a new material is one of the biggest challenges in material design. We tackle this challenge using a range of simulation approaches, from atomic-scale molecular dynamics to mesoscale Monte Carlo and phase field methods. 
Surface phenomena are of paramount importance for numerous applications. We compute a range of surface properties, from energetic stabilities to complex chemical reactions, induced surface stress, and interfacial effects. 
Thermal energy transport, exchange, and dissipation is computed in nanostructured materials, across interfaces, and in a range of bulk systems. Our primary applications include novel sensing approaches and energy. 
When new or improved algorithms are required in order to tackle the materials science challenge at hand, we develop algorithms related to a range of methods, as well as computational tools for education. |
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Professor Jeffrey C. Grossman 77 Massachusetts Avenue MIT, 13-5049 Cambridge, MA 02139 Ph: 617-324-3566
Group: 32 Vassar Street, MIT, 13-4080 Cambridge, MA 02139
