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Applied and Computational Mathematics

Rotational Trajectory of a Unit Vector on a Model Molecule

Modeling and computation are a vital component of scientific research--theory, simulation and computer-aided 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 high-performance 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 coarse-graining of multiphase flow equations and the development of new closures for them, the development of coarse, equation-free 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
Brun, Pierre-Thomas

Pierre-Thomas Brun
Assistant Professor in Chemical and Biological Engineering

A313 Engineering Quad

Dynamics of Fluids and Flexible Solids/ Interfacial Phenomena, Pattern Forming Instabilities, Thin Films, Microfluidics, 3D Printing, Elastic Shells/Rods; Physics of Living Systems: Modeling and Biomimicry

Brynildsen, Mark

Mark P. Brynildsen
Associate Professor in Chemical and Biological Engineering

205 Hoyt Laboratory

Host-pathogen Interactions; Bacterial Persistence;

Debenedetti, Pablo

Pablo G. Debenedetti
Class of 1950 Professor in Engineering and Applied Science
Professor of Chemical and Biological Engineering
Dean for Research

A419 Engineering Quad

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

Kevrekidis, Yannis

Yannis G. Kevrekidis
Pomeroy and Betty Perry Smith Professor in Engineering, Emeritus
Professor of Chemical and Biological Engineering and Applied and Computational Mathematics, Emeritus

A319 Engineering Quad

Complex / Multi-scale Systems Modeling and Computation; Process Dynamics and Spatiotemporal Pattern Formation; Fuel Cell Engineering; Nonlinear System Identification and Control

Shvartsman, Stanislav

Stanislav Y. Shvartsman
Professor of Chemical and Biological Engineering and The Lewis-Sigler Institute for Integrative Genomics

A421 Engineering Quad

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

White, Claire

Claire White
Assistant Professor of Civil and Environmental Engineering and the Andlinger Center for Energy and the Environment

E326 Engineering Quad E-Wing

Durability of Alkali-Activated Cements; Atomic and Nanoscale Morphology of Cementitious Materials; Reaction Kinetics of Cement Formation; Amorphous Carbonate Materials; Combined Modeling/Experimental Methodologies; Monte Carlo Methods; Ab-initio Calculations; Total Scattering Analysis.

Wühr, Martin

Martin Wühr
Assistant Professor of Molecular Biology and the Lewis-Sigler Institute for Integrative Genomics. Richard B. Fisher Preceptor in Integrative Genomics.

246 Carl C. Icahn Laboratory

Molecular Self-organization; Protein Partitioning; Quantitative Proteomics;