Santiago Schnell

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Santiago Schnell’s lab combines chemical kinetics, molecular modeling, biochemical measurements and computational modeling to build a comprehensive understanding of proteostasis and protein forlding diseases. They also investigate other complex physiological systems comprising many interacting components, where modeling and theory may aid in the identification of the key mechanisms underlying the behavior of the system as a whole.

Representation of the human protein-protein interaction network showing disordered (yellow) and ordered (blue) proteins.

Representation of the human protein-protein interaction network showing disordered (yellow) and ordered (blue) proteins.

Liang Qi

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Professor Qi’s research fields are investigations of the mechanical and chemical properties of materials by applying theoretical and computational tools, including first-principles calculations, atomistic simulations and multiscale modeling. His major research interests are quantitative understanding of the intrinsic electronic/atomistic mechanisms for the mechanical deformation, phase transformation and chemical degradation (corrosion/oxidation) of advanced alloys and other structural/functional materials. Currently he is focusing on the studies of deformation defects and interfaces in materials under extreme conditions, such as high stress and/or chemically active environment, where the materials behaviors and properties can be dramatically different than those predicted by classical theories and models. He is also developing the numerical methods to integrate these electronic/atomistic results with large-scale simulations and experimental characterizations in order to design materials with improved mechanical performances and chemical stabilities.

A Jahn-Teller distortion signifies the onset of the shear instability for a body-centered-cubic crystal placed under tension. The symmetry breaking correlates with the intrinsic ductility of the material, and the strain at which it appears can be controlled by alloying.

A Jahn-Teller distortion signifies the onset of the shear instability for a body-centered-cubic crystal placed under tension. The symmetry breaking correlates with the intrinsic ductility of the material, and the strain at which it appears can be controlled by alloying.

Don Siegel

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Don Siegel is a Professor in the Department of Mechanical Engineering and the Department of Material Science and Engineering. His research targets the discovery, characterization, and understanding of novel materials for energy-related applications. These efforts primarily employ atomic scale modeling to predict thermodynamic properties and kinetics. These data provide the necessary ingredients for identifying performance limiting mechanisms and for the “virtual screening” of candidate compounds having desired properties. Prof. Siegel is currently exploring several varieties of energy storage materials, lightweight structural alloys, and materials suitable for use in carbon capture applications.

Atomic scale model of a liquid electrolyte/solid Li2O2 interface in a Li-air battery cathode.

Atomic scale model of a liquid electrolyte/solid Li2O2 interface in a Li-air battery cathode.

Udo Becker

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Professor Becker leads an interdisciplinary group to understand problems in surface geochemistry and computational mineralogy, thus there are research opportunities in fields ranging from experimental approaches and computational modeling of actinide geochemistry (U immobilization in the environment, actinide-containing solids under extreme pressure, temperature, and radiation, U/Np/Pu redox processes) to carbonate biomineralization. Other research includes calculating redox processes (including resolving individual kinetic barriers that control kinetics) carbonate and phosphate biomineralization (from environmental applications to processes on teeth). As a part of Mineralogy and Materials Science Research Group, Becker’s group  interacts with Radiation Effects and Radioactive Waste Management group, Michigan Geomicrobiology group, Electron Microbeam Analysis Laboratory (EMAL) and Mineral Physics group.

Band decomposed charge density associated with the defect state at -0.7eV, introduced by Pu occupying the A site in Ca3Zr2(FE2Si)O12.

Band decomposed charge density associated with the defect state at -0.7eV, introduced by Pu occupying the A site in Ca3Zr2(FE2Si)O12.

 

Alec Thomas

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High power laser plasma interactions are interesting for applications such as the generation of energetic, directional electron, photon, ion and neutron beams or inertial fusion energy. Because of the strong electric and magnetic fields that lead to extremely far from equilibrium distributions, describing realistic high power laser interactions with plasma typically requires codes using a fully kinetic description. Professor Thomas’ research involves collisional plasma simulation using Vlasov-Fokker-Planck codes, including implicit methods using Krylov solvers for heat transport problems relating to inertial fusion energy. He is also interested in plasma simulation using particle-in-cell methods, including coupling the plasma code to very energetic photons using a Monte-Carlo method, for ultra intense short pulse laser interactions in radiation dominated regimes.

3D Particle-in-cell simulation of a laser driven particle accelerator succumbing to hosing and filamentation instabilities.

3D Particle-in-cell simulation of a laser driven particle accelerator succumbing to hosing and filamentation instabilities.

Gabor Toth

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Dr. Toth works on algorithm and code development for space and plasma physics simulations. He has a leading role in the development of the Space Weather Modeling Framework (SWMF) that can couple and execute about a dozen different space physics models modeling domains from the surface of the Sun to the upper atmosphere of the Earth. He is one of the main developers of the BATS-R-US code, a multi-physics and multi-application magnetohydrodynamics code using block-adaptive grids. He is collaborating with many colleagues and students using the SWMF and BATSRUS for a wide range of applications: solar corona, coronal mass ejections, magnetic storms, comets, moons (Titan, Enceladus), planetary magnetospheres (Earth, Venus, Mars, Jupiter, Saturn), interaction of moons with their plasma environment (Titan, Enceladus), interaction of comets with the solar wind, outer heliosphere interaction with the inter-stellar material, etc. The SWMF is used by the Community Coordinated Modeling Center (CCMC) at NASA Goddard for research as well as real-time forecasting of space weather. Dr. Toth was also the software architect for the Center for Radiative Shock Hydrodynamics (CRASH). This DoE funded center worked on modeling radiative shocks created by high energy lasers and the uncertainty quantification of the model results. He has designed and implemented of the Versatile Advection Code, a general purpose publicly available hydrodynamics and MHD code. VAC has been used by hundreds of researchers around the world to simulate various hydrodynamic and MHD problems.

Shravan Veerapaneni

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His research group develops fast and scalable algorithms for solving differential and integral equations on complex moving geometries. Application areas of current interest include large-scale simulations of blood flow through arbitrary confined geometries, electrohydrodynamics of soft particles and heat flow on time-varying domains.

simulation of red blood cells

Snapshot from a hydrodynamic simulation of 40,000 red blood cells with the inset showing the details of a two-body interaction.

Anthony Waas

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Anthony M. Waas is the Richard A. Auhll Department Chair of Aerospace Engineering at the University of Michigan, Ann Arbor where he holds the Felix Pawlowski Collegiate Chair since September 1, 2018. Prior to that, he was the Boeing Egtvedt Endowed Chair Professor and Department Chair in the William E. Boeing Department of Aeronautics and Astronautics at the University of Washington, Seattle.

The development of validated analytical and computational methods to understand how a structure (such as an air-vehicle wing, a fuselage, the load bearing structure of a land-vehicle, the wing of an insect, a wind turbine blade) made of multi-materials responds to external environments is the overarching goal of Wass’ research group. Naturally, this involves multi-physics and mechanics based models at different spatial and temporal scales. To achieve this goal, the group performs a combination of experiments, computational modeling and analysis, and theoretical developments when necessary. This work has led to novel algorithms and multi-scale methods that provide a balance between high fidelity and computational efficiency, with particular emphasis on capturing damage and failure mechanics, including interaction between these in a mesh (discretization) objective manner.

Professor Waas is a Fellow of the American Institute of Aeronautics and Astronautics (AIAA), the American Society of Mechanical Engineering (ASME), and the American Academy of Mechanics (AAM). He is a recipient of several best paper awards, the 2016 AIAA/ASME SDM award, the AAM Jr. Research Award, the ASC Outstanding Researcher Award, and several distinguished awards from the University of Michigan. He received the AIAA-ASC James H. Starnes, Jr. Award, 2017, for seminal contributions to composite structures and materials and for mentoring students and other young professionals. In 2017, Professor Waas was elected to the Washington State Academy of Sciences, and in 2018 to the European Academy of Sciences and Arts.

Professor Waas obtained his B.Sc in Aeronautics with First Class Honors from Imperial College, London, 1982, the ACGI in 1982, the MS and Ph.D in Aeronautics and Applied Mathematics (minor)  from Caltech, 1983 and 1988, respectively.

Crack growth prediction (code developed by Dr. Rudraa Raju)

Crack growth prediction (code developed by Dr. Rudraa Raju)

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.

Lee Hartmann

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Professor Hartmann studies the processes by which cold clouds of gas and dust fragment and then collapse, forming stars and a surrounding rotating disk; and the evolution of disks which ultimately can form planets. Because protostellar clouds form in complex, highly structured and turbulent gas, time-dependent (magneto)hydrodynamics is required to follow fragmentation and collapse to stars and disks.  Similarly, the evolution of planet-forming disks involves both gravitational and magnetic turbulence. Simulations of cloud and disk evolution over the necessary timescales (105 to 106 years) with reasonable resolution demands extensive parallel processing.