|
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 simulation tools and experimental techniques to understand, predict, and design novel materials with applications in energy conversion, energy storage, thermal transport, surface phenomena, and synthesis. |
|
|
|
Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots
Donghun Kim, Dong-Ho Kim, Joo-Hyuong Kim and Jeffrey C. Grossman
Physical Review Letters 110, 196802 (2013)
|
|
|
Point-defect Optical Transitions and Thermal Ionization Energies from Quantum Monte Carlo Methods: Application to the F-center defect in MgO
Elif Ertekin, Lucas K. Wagner, and Jeffrey C. Grossman
Physical Review B 87, 155210 (2013)
|
|
|
Broad-Range Modulation of Light Emission in Two-Dimensional Semiconductors by Molecular Physisorption Gating
Sefattin Tongay, Jian Zhou, Can Ataca, Jonathan Liu, Jeong Seuk Kang, Tyler S. Matthews, Long You, Jingbo Li, Jeffrey C. Grossman and Junqiao Wu
Nano Letters (2013), DOI: 10.1021/nl4011172
|
|
|
Origin of Structural Hole Traps in Hydrogenated Amorphous Silicon
Eric Johlin, Lucas K. Wagner, Tonio Buonassisi and Jeffrey C. Grossman
Phyical Review Letters 110, 146805 (2013)
|
|
|
High Surface Reactivity and Water Adsorption on NiFe2O4 (111) Surfaces
Priyank V. Kumar, Michael P. Short, Sidney Yip, Bilge Yildiz and Jeffrey C. Grossman
Journal of Physical Chemistry C 2013 DOI:10.1021/jp309434a (online)
|
|
|
Photoswitchable Molecular Rings for Solar-Thermal Energy Storage
E. Durgun and Jeffrey C. Grossman
Journal of Physical Chemistry Letters 4, 854-860 (2013)
|
|
|
|
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. 