Trung Dac Nguyen

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Graduation Year

2011

Thesis Title

Computer-aided design of nanostructures from self- and directed-assembly of soft matter building blocks

Current Job

Visiting Scholar at the Institute of Mechanics, Vietnam Academy of Technology and Science.

Lonnie D. Shea

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Graduation Year

1997

Thesis Title

Kinetics of receptor, ligand, and G protein interaction for signal transduction: A modeling study

Supervisor

Jennifer Linderman

Current Job

Professor and Chair, Biomedical Engineering at the University of Michigan

Bryan Goldsmith

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Bryan Goldsmith is an Assistant Professor in the Department of Chemical Engineering. His works focus on the development of novel catalysts and materials. The world is facing a growing population, mass consumerism, and rising greenhouse gas levels, all the while people strive to increase their standard of living. Computational modeling of catalysts and materials, and making use of its synergy with experiments, facilitates the process to design new systems since it provides a valuable way to test hypotheses and understand design criteria. His research team focuses on obtaining a deep understanding of catalytic systems and advanced materials for use in sustainable chemical production, pollution abatement, and energy generation. They use first-principles modeling (e.g., density-functional theory and wave function based methods), molecular simulation, and data analytics tools (e.g., statistical learning and data mining) to extract key insights of catalysts and materials under realistic conditions, and to help create a platform for their design.

A computational prediction for a group of gold nanoclusters (global model) could miss patterns unique to nonplaner clusters (subgroup 1) or planar clusters (subgroup 2)

A computational prediction for a group of gold nanoclusters (global model) could miss patterns unique to nonplaner clusters (subgroup 1) or planar clusters (subgroup 2)

Angela Violi

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Angela Violi is a Professor in the Department of Mechanical Engineering, and adjunct faculty in Chemical Engineering, Biophysics, Macromolecular Science and Engineering, and Applied Physics. The research in the group of Violi is focused on the application of statistical mechanics and computational methods to chemically and physically oriented problems in nanomaterials and biology. The group investigates the formation mechanisms of nanomaterials for various applications, including energy and biomedical systems, and the dynamics of biological systems and their interactions with nanomaterials.

violinanoparticlegenesis

Jennifer Linderman

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The Linderman group works in the area of computational biology, especially in developing multi-scale models that link molecular, cellular and tissue level events.   Current areas of focus include: (1) hybrid multi-scale agent-based modeling to simulate the immune response to Mycobacterium tuberculosis and identify potential therapies, (2) models of signal transduction, particularly for G-protein coupled receptors, and (3) multi-scale agent-based models of cancer cell chemotaxis.

Hybrid multi-scale model of the immune response to Myobacterium tuberculosis in the lung. Selected immune cell behaviors and interactions captured by the model are shown. Not shown are single cell receptor/ligand dynamics involving the pro-inflammatory cytokine tumor necrosis factor (TNF) and the anti-inflammatory cytokine interleukin 10 (IL-10).

Hybrid multi-scale model of the immune response to Myobacterium tuberculosis in the lung. Selected immune cell behaviors and interactions captured by the model are shown. Not shown are single cell receptor/ligand dynamics involving the pro-inflammatory cytokine tumor necrosis factor (TNF) and the anti-inflammatory cytokine interleukin 10 (IL-10).

Robert Ziff

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Professor Ziff carries out computational and theoretical studies of various physical problems, most notably percolation but also catalysis modeling and several reaction/diffusion systems.  For percolation, he has developed various algorithms that have allowed substantial increases in performance, for the study of threshold behavior, crossing probability, etc. He also studies algorithms for efficiently simulating rare-event simulations such as chemical reactions and diffusion-limited aggregation.

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Inside a diffusion-limited aggregation (DLA) cluster, grown using an accelerated rare-event algorithm.

Ronald Larson

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Ronald Larson is the A.H. White and G.G. Brown Professor of Chemical Engineering. He is affiliated with the departments of Chemical Engineering, Macromolecular Science, Biomedical Engineering, and Mechanical Engineering. He currently serves as interim Chair of Biomedical Engineering. Larson’s research interests include theory and simulations of the structure and flow properties of viscous or elastic fluids, sometimes called “complex fluids,” which include polymers, colloids, surfactant-containing fluids, liquid crystals, and biological macromolecules such as DNA, proteins, and lipid membranes. He also studies computational fluid mechanics, including microfluidics, and transport modeling, using mesoscopic and macroscopic simulation methods.  He has written numerous scientific papers and two books on these subjects, including a 1998 textbook, “The Structure and Rheology of Complex Fluids.”

Simulated three dimensional self assembly of spherical “Janus” particles with attractive faces (blue, on far left and red on far right) and non-attractive faces (white). The far left shows packing in the “rotator” phase, where the attractive faces have not ordered orientationally, which occurs at lower temperature. Other images show single sphere, or groups of spheres, indicating hexagonal ordering. Surrounding points show positions of surrounding spheres, at multiple time points, indicating motions about crystal lattice points.

Simulated three dimensional self assembly of spherical “Janus” particles with attractive faces (blue, on far left and red on far right) and non-attractive faces (white). The far left shows packing in the “rotator” phase, where the attractive faces have not ordered orientationally, which occurs at lower temperature. Other images show single sphere, or groups of spheres, indicating hexagonal ordering. Surrounding points show positions of surrounding spheres, at multiple time points, indicating motions about crystal lattice points.