Our research program in computational materials science and engineering is comprised of multiple investigations that span a range of technological applications. The overarching theme of our investigations is the study of collective phenomena that emerge from the interactions between large numbers of discrete entities including atoms, engineered particles, and even biological entities such as cells. For example, In crystalline materials, where perfect order is important for specific properties, aggregate behavior between large numbers of atoms can lead to the formation of highly undesirable microstructural defects.
We currently pursue projects in semiconductor materials processing for photovoltaic and microelectronics technologies, colloidal/nanoparticle assembly targeted at creating materials with exotic properties, and multiscale simulation of cellular transport and aggregation in blood flow. Our efforts also include more fundamental studies aimed at developing new computational methods to increase the application of computer simulation within science and engineering.
The following vignettes (click to learn more about each one) showcase some of the research projects that we are currently pursuing. Many of these of projects are being carried out in collaboration with experimentally-focused research groups that provide us with data for model building and in turn use our results to direct and interpret their experiments. We also collaborate with industry in order to focus our fundamental studies on problems of immediate technological need. Of course, our projects are continuously evolving as we find new areas of collaboration with experimentalists both here at Penn and at academic institutions and companies across the world.
- Advanced Semiconductor Substrates for High-Efficiency Photovoltaic Devices
- Coarse-Grained Monte Carlo Simulations of Arbitrary Continuous Systems
- Directed Assembly in Hard and Soft Materials
- Directed Self-Assembly of Germanium Quantum Dot Arrays on Semiconductor Substrates
- DNA-Mediated Assembly of Colloidal Materials
- Fundamental Atomistic Studies of Solid State Aggregation Phenomena
- Novel Multiscale Simulation Tool Development
- Optimizing Multicrystalline Silicon for Low-Cost Photovoltaics
- Systems-Level Modeling of Defect Formation in Silicon (and Silicon-Alloy) Materials Processing