Program in Computational Science and Engineering 


CSE Field Members 


522 Clark Hall Computational studies from first principles of mechanical properties of materials, electronic and spectroscopic signatures of extended crystalline defects, properties of nanoscale devices and fundamental processes involved in crystal growth. Development of new techniques for these studies, including the use of wavelets in scientific computing and novel design principles for parallel software. 


313 Hollister Hall
Inverse problems, computational nondestructive evaluation, computational solid mechanics, large scale scientific computing. 

5137 Upson Hall Microelectromechanical systems (MEMS), numerical linear algebra, finite element analysis, floating point computation and network tomography. 

335 Rhodes Hall Design of parallel algorithms and architectures for signal processing, new parallel algorithms for realtime matrix computations; techniques for mapping composite tasks onto parallel architectures; algorithms for spacetime adaptive processing of airborne radar data. 


248 Upson Hall Computational techniques for the solution of problems in
fluid mechanics and aerodynamics, including transonic flows with shock waves, turbulent flows with chemical reaction, and unsteady flows with fluidstructure interactions. The goal of this research is to develop efficient techniques for the solution of both ideal (i.e., inviscid) and dissipative (i.e., viscous) approximations to the equations of fluid mechanics for these problems.


244 Baker Laboratory Electronic structure and dynamics of complex processes. Developing new and more powerful theoretical techniques which enable us to describe strong electronic correlation problems. Of particular theoretical interest are the construction of fast (polynomial) algorithms to solve the quantum manyparticle problem, and the treatment of correlation in timedependent processes. 

124 Olin Hall Multiscale computational studies of traditional (siliconbased) and nontraditional (organic) semiconductors, especially the optimization and understanding of manufacturing processes used
to fabricate electronic devices and design potentially improved semiconductor materials. Major emphasis is on atomicscale modeling, but multiscale techniques are used to cover multiple length and time scales. 


246 Upson Hall Turbulence physics, direct numerical simulations, spectral modeling, and probability density function modeling. Areas of interest include: cloud physics; aerosol transport, clustering and highspeed particle tracking; premixed and nonpremixed combustion; scalar mixing modeling with/without chemical reaction; polymer drag reduction;
fundamental study of homogeneous turbulent shear flow; and highperformance computing.


208 RileyRobb Hall Modeling of heat and mass transfer, fluid flow and some solid mechanics in biological and biomedical processes. We make physicsbased numerical models of food processes to be able to optimize product, process and equipment for improved quality and safety. Also, these models can be used to build automated appliances/ machinery that provide custom quality. In biomedical applications, the goal of modeling is to obtain better insight into procedures and be able to optimize them. 


196 Rhodes Hall Mechanics and materials science associated with deformation processes of polycrystalline materials. The general aim of the research is to integrate modern constitutive theories for the mechanical behavior of these materials into rigorous mechanics frameworks and to solve the resulting systems of equations by numerical techniques. The end goal is a more fundamental understanding of the relation between a material's microstructure state and its derivative mechanical properties. 

250 Upson Hall Largescale numerical modeling of turbulent reacting multiphase flows with industrial application using worldclass parallel computers. Numerical methods and models to investigate the multiscale and multiphysics fluid mechanics problems that arise in a range of engineering devices, such as combustors or biomass reactors. 

105 Hollister Hall My research focuses on the numerical simulation of smallscale fluid flow processes in the natural environmental, particularly, the interplay between turbulence and internal gravity waves, and the resulting mixing, in stratified waters near and away from boundaries. As a result, am interested in higherord (spectral) accuracy elementbased methods, parallel largescale computation and the associated numerical linear algebra tools. 

365 Hollister Hall the development and application of computational mechanics techniques for the study of complex structural systems. Structural systems of interest can be from any domain, including: civil structures, ships, aircraft, and biological systems. Structural health monitoring and the solution of complex inverse problems are important themes in Earls' research program; as are structural stability and metal structure behavior. 

E339A Corson Hall Theoretical population biology and evolutionary ecology. Modeling, mathematics, and simulation in collaboration with experimental biologists. The interface between theory, modeling, and empirical ecology, and the use of dynamic models as tools for identifying the mechanisms behind the observed dynamics of ecological systems. 


377 Olin Hall



G12 Baker Laboratory Bound state and reaction dynamics of molecular and atomic systems; intramolecular vibrational energy transfer, unimolecular dissociation, and collisional energy transfer. Classical trajectory methods, semiclassical theories, and direct solution of the nuclear Schrodinger equation are employed as appropriate to investigate fundamental problems in intramolecular and collision dynamics. 

324 Hollister Hall Transportation systems, environmenal science (especially air quality and climate change), energy, and sustainable development. Sustainable food systems, quantifying and mitigating greenhouse gas emissions from food supply chains. 

4105B Upson Hall Data mining and database systems. Knowledge discovery from large databases, algorithms for privacypreserving data mining and change detection over data streams, database systems for querying sensor networks with thousands of small wireless sensors. 

565 Malott Hall Dynamics of systems with multiple time scales, algorithm development for problems involving periodic orbits and upon applications to the neurosciences, animal locomotion and control of nonlinear systems. 

Shane Henderson Operations Research 
230 Rhodes Hall 

322 Hollister Hall Rock mechanics, structural mechanics, fracture mechanics, computational mechanics. 

340 Olin Hall Integration of continuum analysis with molecular details in polymeric materials processing. Areas of current interest include the microstructural rheology and processing of complex fluids, the formation of nanofibers via electrospinning , the occurrence of purely elastic instabilities in polymer flows, and the solid state processing of advanced polymeric materials. Comparison of experimental results with numerical simulation. 

246 Upson Hall Problems in fluid mechanics of highly vortical flows and geophysical flows. These flows typically involve processes of instability and transition, or wave propagation.


147 Goldwin Smith Hall Quantum field theory; renormalization techniques and effective field theory, with applications in particle physics, condensed matter physics, and nuclear physics; numerical quantum field theory and lattice QCD; Standard Model physics; heavyquark physics; highprecision atomic physics and QED; computational physics and physics pedagogy 


235 Upson Hall Variational analysis and nonsmooth optimization, with a particular interest in optimization problems involving eigenvalues. 


216 Upson Hall Computer aided design and manufacturing: Fully automated Design, and Fully automated Manufacturing. Primarily biologicallyinspired approaches, as they bring new ideas to engineering and new engineering insights into biology. 

118 Hollister Hall Fluid mechanics. Wave hydrodynamics, coastal engineering, tsunami effects, numerical methods 

208B Baker Laboratory The dynamics of molecules in condensed phases control phenomena ranging from biological processes to the course of liquid phase chemical reactions to the mechanical properties of materials. Our group develops theoretical methods for interpreting and predicting the motions of both small molecules and macromolecules in the liquid state. A principal research area is the development of semiclassical approximations to quantum mechanics that can be applied to the interpretation of multidimensional infrared spectroscopy of biomolecules. 


220 Kimball Hall Linear and nonlinear computational mechanics, with primary emphasis on the applications of the boundary element and finite element methods; meshless methods; integral equation methods; viscoplasticity and for largestrain largerotation problems, sensitivity analysis; boundary contour and boundary node methods. 


626 Rhodes Hall Molecular and cell biology (specifically, the functioning of regulatory and signaling networks in cells) and to related questions concerning the organization and evolution of complex, adaptive, information processing systems. 


254 Upson Hall Models and computational methodologies for the calculation of turbulent and reactive flows, especially turbulent combustion. For nonreactive turbulent flows, CFD plays an important role in the design of engineering equipment, such as aircraft wings and gasturbine compressors. While CFD is also used for turbulent combustion, the models currently in use in industry fall far short of the required accuracy and level of description. 

Operations Research 
219 Rhodes Theoretical and applied probability, mathematical finance theory (asset pricing, liquidity risk, credit risk, etc.), stochastic numerical analysis, stochastic analysis and its applications, weak convergence, Markov process theory, and filtering theory. Simulation and approximation of solutions for stochastic differential equations. 

The analysis and construction of finite element methods for the approximate solution of partial differential equations. In particular, investigating both the local behavior of such matters and another phenomena associated with them called superconvergence. 


521 Clark Hall Materials science, including crackling noise and avalanches in magnetic systems, tweed in shapememory alloys, accelerated simulations of surface growth, Arrhenius law for double jumps; glasses, including metallic glasses, low temperature glasses, slow relaxation, and scaling theories of the glass transition; disordered systems. 

David Shalloway Molecular Biology and Genetics 
265 Biotechnology Building Methods from statistical physics to dissect the behavior of these complex systems according to size scale. Computer algorithms for hierarchical macrostate analysis.


232 Rhodes Hall Design and analysis of efficient algorithms for discrete optimization problems, in particular, approximation algorithms for NPhard and other computationally intractable problems, the development of algorithmic tools that lead to approximation algorithms for which good performance guarantees can be proved. 


210 Hollister Hall Costeffective, robust solutions for environmental problems by using optimization, modeling and statistical analyses of resource allocation and operations management; development of numerically efficient nonlinear optimization algorithms utilizing high performance computing and algorithm applications to complex, nonlinear environmental systems. Application areas include physical and biological groundwater remediation, pesticide management, ecology, and surface water pollutant transport in large watersheds. 


346 Olin Hall Stability analysis when a small disturbance triggers a dramatic change. Examples include breaking of an object (mechanics), the thermal runaway of a reactor (chemistry), the reversal of the earth's magnetic field (geophysics), and the onset of global climate change (climatology). Instability results from an imbalance that carries the system away from the sometimes delicate balance represented by equilibrium. 


608 Space Sciences Building General relativity and relativistic astrophysics; numerical relativity; black hole and neutron star physics; computational physics. 


229 Rhodes Hall Algorithms for linear and convex programming, particularly semidefinite programming, analysis of interiorpoint methods, homotopy methods, probabilistic analysis of pivoting methods, and extensions of complementary pivoting ideas to oriented matroids. 


223 Rhodes Hall
Largescale resource allocation problems under uncertainty.
Techniques involve dynamic programming, stochastic optimization,
machine learning and stochastic approximation to tackle problems whose
conventional dynamic programming formulations involve highdimensional
vectorvalued state variables. Research exploits structural properties
of the underlying problem (such as monotonicity, convexity, submodularitry)
to enhance performance. Applications in the areas of dynamic fleet management
and inventory control. Other research interests include pricing problems
that arise in conjunction with the allocation of resources
over complex physical networks under uncertainty.
Such problems arise in freight, data transmission capacity and airfare pricing.



235 Rhodes Hall Integer programming, discrete optimization models. Applications in resource allocation, production and distribution of commodities, routing and sequencing in networks representing processes of computation, communication, and production, optimal location of product distribution centers or emergency public service centers, optimal layout of networks. 


4130 Upson Hall Numerical linear and multilinear algebra with applications in signal processing and control theory. 

244 Olin Hall Mathematical modeling, simulation and analysis techniques applied to problems in oncology, immune system function, and cellcycle and celldeath network dynamics. Key areas of study include (i) the characterization and solution of multiscale reactiondiffusion problems that underlie the efficacy of Ligand Targeted Therapies (LTT) in Bcell cancers and solid tumor carcinomas and (ii) the immune system response to pathogens. Problems in therapeutic protein design, expression and recovery. 


430 Malott Hall Fast methods for problems in which the direction of information flow can be used to speed up the computations; numerical schemes for nonlinear static PDEs; Ordered Upwind Methods (OUMs) for the PDEs arising in the anisotropic exittime optimal trajectory problems; problems in anisotropic (and hybrid) control and in front propagation. 

573 Malott Numerical solution of partial differential equations, analysis aimed at gaining a fundamental understanding of methods. Behavior of the finiteelement methods in a variety of problems, especially ones that contain singularities of various degrees of nastiness. 

373 Hollister Hall Understanding the connection between microscopic physical phenomena and the macroscopic deformation and failure of engineering materials by coupling cuttingedge computing technologies with stateoftheart simulation techniques. 


323Thurston Hall Phenomena in a broad range of physical and biological systems, e.g., understanding the intricacies of unsteady aerodynamics through insect flight and falling leaves. Themes include turbulence, computational fluid dynamics, localization in disordered systems, and general spectral theory of nonHermitian random matrices and its application to advectiondiffusion systems. 


236 Rhodes Hall Algorithms, combinatorial optimization, computer science. 


188 Rhodes Hall Computational materials science, multiscale mathematics and computation,
stochastic modeling, Bayesian computation, statistical learning
and information theoretic algorithms. 

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