Applied and Computational Mathematics
Modeling and computation are a vital component of scientific researchtheory, simulation and computeraided analysis are used to understand and design phenomena that range across a dramatic range of scales in space and time, from molecules to entire chemical plants. The ongoing explosion in highperformance scientific computing, coupled with spectacular advances in algorithm development for problems in computational statistical mechanics, bioinformatics, multiscale modeling and the quantification of uncertainty, transform the role of the modeler in modern chemical engineering.
Within the department, pioneering computational and algorithm development research occurs in several areas: the development of systematic computational approaches to protein folding, the development of novel computational ensembles in statistical mechanics and the exploration of glassy landscapes and dynamics, the coarsegraining of multiphase flow equations and the development of new closures for them, the development of coarse, equationfree computation for multiscale/complex systems and the exploration of dynamic, nonlinear pattern formation in developmental biology. The University encompasses a vibrant, open and collaborative community of modeling/computational researchers and applied mathematicians across disciplines (see also the Program in Applied and Computational Mathematics).
Faculty  Research Area  
Mark P. Brynildsen 
Hostpathogen Interactions; Bacterial Persistence; 



Emily A. Carter 
Computational Materials Science and Theoretical Chemistry 



Pablo G. Debenedetti 
Liquid State Theory; Glass Transition; Nucleation Theory; Protein Thermodynamics; Molecular Simulation; Biopreservation; Origin of Biological Homochirality 



Yannis G. Kevrekidis 
Complex / Multiscale Systems Modeling and Computation; Process Dynamics and Spatiotemporal Pattern Formation; Fuel Cell Engineering; Nonlinear System Identification and Control 



Stanislav Y. Shvartsman 
Quantitative Analysis of Pattern Formation and Morphogenesis in Developing tissues; Genetics, Genomics, and Computational Studies of Signaling Pathways; Reaction Engineering and Transport Processes 



Claire White 
Durability of AlkaliActivated Cements; Atomic and Nanoscale Morphology of Cementitious Materials; Reaction Kinetics of Cement Formation; Amorphous Carbonate Materials; Combined Modeling/Experimental Methodologies; Monte Carlo Methods; Abinitio Calculations; Total Scattering Analysis. 