conversionThe 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.


storageOur 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.


synthesisKnowing 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.


surfacesSurface 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. 


thermalThermal 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.


toolsWhen 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.
The Grossman Group

Welcome to the Grossman Group in the Department of Materials Science & Engineering at the Massachusetts Institute of Technology!

Our focus is on the application and development of cutting-edge experimental and simulation tools to understand, predict, and design novel materials with applications in energy conversion, energy storage, thermal transport, surface phenomena, and synthesis. 

Most Recent Publications


Templated Assembly of Photoswtiches Significantly Enhances the Energy-Storage Capacity of Solar Thermal Fuels.

Timothy J. Kucharski, Nicola Ferralis, Alexie M. Kolpak, Jennie O. Zheng, Daniel G. Nocera and Jeffrey C. Grossman.

Nature Chemistry, DOI: 10.1038/chem.1918 (2014)


Origins of Hole Traps in Hydrogenated Nanocrystalline and Amorphous Silicon Revealed through Machine Learning.

Tim Mueller, Eric Johlin and Jeffrey C. Grossman.

Phys. Rev. B, 89, 115202 (2014)


Quantifying the Potential of Ultra-Permeable Membranes for Water Desalination.

David Cohen-Tanugi, Ronan K. McGovern, Shreya H. Dave, John H. Leinhard and Jeffrey C. Grossman.

Energy and Environmental Science, DOI: 10.1039/C3EE43221A (2014)


Latest News

Open Positions

Interested in joining our group?  Please contact Professor Grossman directly.