Filipov,Evgueni

Evgueni Filipov

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Evgueni Filipov is an Assistant Professor in the Department of Civil and Environmental Engineering. His research interests lie in the field of deployable and reconfigurable structural systems. Folding and adaptable structures based on the principles of origami can have practical applications ranging in scale and discipline from biomedical robotics to deployable architecture.

His research is focused on developing computational tools that can simulate mechanical and multi-physical phenomena of deployable structures. The analytical models incorporate folding kinematics along with local and global phenomenological behaviors. Prof. Filipov uses finite element and  constitutive modeling to better understand how geometry affects elastic deformations and other physical properties of the deployable and adaptable structures. He is interested in optimization of such systems and large scale parametric studies to explore the design space and potential applications of the systems.

Elastic deformations of a deployable origami tubes (Filipov et al. PNAS 2015)

Elastic deformations of a deployable origami tubes (Filipov et al. PNAS 2015)

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Richard Rood

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Ricky Rood is a Professor of Climate and Space Sciences and Engineering. His current research and teaching focus is on climate change and its repercussions in society. His research history includes numerical modeling of trace constituents and atmospheric dynamics. He was director of NASA’s Center for Computational Science at Goddard Space Flight Center. He is currently consulting with NOAA on the Next Generation Global Prediction System.

Professor Rood is an active member of the climate science community, working on strategic approaches to the climate-change problem solving. He writes blogs for Wunderground.com and Climatepolicy.org and he is a main contributor of The Climate Workspace project, glisaclimate.org, a site that supports an online community of people working to address climate change questions and problems.

 

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Ming Xu

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Ming Xu is an Associate Professor in the School of Natural Resources and Environment, and in the Department of Civil and Environmental Engineering. The focus of his research is to understand the interaction between industrial systems and the biophysical environment. His goal is to provide an understanding of driving forces of environmental pressures and to help find an alternative pathway to reduce these pressures. Prof. Xu inherently interdisciplinary research combines data science, complex systems modeling and industrial ecology.

 

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Heather Mayes

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Heather Mayes is an Assistant Professor in the Department of Chemical Engineering. Her research group uses multi-scale modeling to discover protein-sugar interactions and to harness them for renewable energy and improved health. The study of carbohydrate-protein interactions is an important step to create renewable fuels and chemicals from non-food biomass, and the results can be applied to several human diseases, including cancer and autoimmune disorders. Prof. Mayes uses computational tools in her research, including quantum mechanics, molecular dynamics, and rare-event sampling methods. She collaborates with experimental groups to understand past and guide future wet-lab studies to advance renewable chemicals and fuels, as well as disease understanding.

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Multiscale simulation to uncover mechanisms behind protein-sugar interactions, such as how the T. reesi Cel6A enzyme coordinates making and breaking four bonds for cellulose hydrolysis.

 

 

PhaniMotamarri

Phani Motamarri

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Phani Motamarri is an Assistant Research Scientist in the department of Mechanical Engineering. His research interests lie in the broad scope of computational materials science with emphasis on computational nano-science leading to applications in the areas of mechanics of materials and energy. His research is strongly multidisciplinary, drawing ideas from applied mathematics, data science, quantum-mechanics, solid-mechanics, materials science and scientific computing.

The current research focus lies in developing systematically improvable real-space computational methodologies and associated mathematical techniques for conducting large-scale electronic-structure (ab-initio) calculations -via- density functional theory (DFT). Massively parallel and scalable numerical algorithms using finite-elements (DFT-FE) are developed as a part of this research effort, which enabled large-scale DFT calculations on tens of thousands of atoms for the first time using finite-element basis. These computational methods will aid fundamental studies on defects in materials, molecular and nanoscale systems which otherwise would have been difficult to study with the existing state of the art computational methods. Current areas of application include — (a) first-principles modelling of energetics of point defects and dislocations in Al, Mg and its alloys which are popular in light-weighting applications to provide useful inputs to meso-scale and continuum models, (b) providing all-electron DFT input to advanced electronic structure approaches like the GW method for accurate prediction of electronic properties in semiconductor-materials.

Electron-density contours of 3430 atom aluminum nanocluster using pseudopotential DFT-FE

Electron-density contours of 3430 atom aluminum nanocluster using pseudopotential DFT-FE

Electron density contours of 3920 electron silicon nanocluster using all-electron DFT-FE

Electron density contours of 3920 electron silicon nanocluster using all-electron DFT-FE

Computational time (CPU-Hrs) per SCF iteration for the reduced-scaling subspace projection method and conventional diagonalization approach(ChFSI-FE). Case study: Alkane chains upto 7000 atoms.

Computational time (CPU-Hrs) per SCF iteration for the reduced-scaling subspace projection method and conventional diagonalization approach(ChFSI-FE). Case study: Alkane chains upto 7000 atoms.

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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.

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Allison Steiner

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Allison Steiner is an Associate Professor of Climate and Space Sciences and Engineering. Her research focus is on the relationship between the atmosphere and the terrestrial biosphere to help understand the bigger question: how will the Earth respond to climate change? Her research integrates gas and particulate matter, including anthropogenic aerosols and natural aerosols such as pollen, into high-resolution models. She and her research group then compare these results with observations to develop a comprehensive understanding of regional scale climate and atmospheric chemistry.

Study of the sensitivity of two dust parametrizations of the regional climate model RegCM4 between 2007-2014 over the Sahara dn the Mediterranean. Atmos. Chem. Phys. Discuss., doi:10.5194/acp-2016-434, 2016

Study of the sensitivity of two dust parametrizations of the regional climate model RegCM4 between 2007-2014 over the Sahara and the Mediterranean. Tsikerdekis et al. Atmos. Chem. Phys. Discuss., doi:10.5194/acp-2016-434, 2016

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Marisa Eisenberg

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Marisa Eisenberg is an assistant professor in the Department of Epidemiology, and in the Department of Mathematics. Her research revolves around mathematical epidemiology, focus on using and developing parameter estimation and identifiability techniques to model disease dynamics. Her group builds multi-scale models of infectious disease, including HPV, cholera and other environmentally driven diseases.

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Likelihood surface exhibiting issues of unidentifiability—colors indicate goodness-of-fit, and the white line shows the values taken by an optimization algorithm as it navigates the surface.

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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.

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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).