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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
Brynildsen, Mark

Mark P. Brynildsen
Assistant Professor in Chemical and Biological Engineering

205 Hoyt Laboratory
609-258-1995
mbrynild@princeton.edu

Host-pathogen Interactions; Bacterial Persistence; Biofilms


Carter, Emily

Emily A. Carter
Gerhard R. Andlinger Professor in Energy and the Environment
Professor of Mechanical and Aerospace Engineering and Applied and Computational Mathematics
Founding Director, Gerhard R. Andlinger Center for Energy and the Environment

D404A Engineering Quad
609-258-5391
eac@princeton.edu

Computational Materials Science and Theoretical Chemistry


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
609-258-5480
pdebene@princeton.edu

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


Floudas, Christodoulos

Christodoulos A. Floudas
Stephen C. Macaleer '63 Professor in Engineering and Applied Science
Professor of Chemical and Biological Engineering

A325 Engineering Quad
609-258-4595
floudas@titan.princeton.edu

Process synthesis, design and operations; Mixed-integer nonlinear optimization; Global optimization; Computational Biology and Chemistry; Proteomics


Kevrekidis, Yannis

Yannis G. Kevrekidis
Pomeroy and Betty Perry Smith Professor in Engineering
Professor of Chemical and Biological Engineering

A319 Engineering Quad
609-258-2818
yannis@arnold.princeton.edu

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

A421 Engineering Quad
609-258-4694
stas@princeton.edu

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