Thermodynamics and Statistical Mechanics
Thermodynamics and statistical mechanics have a long and distinguished research tradition at Princeton’s Chemical Engineering Department. The emphasis is on fundamental problems, and a wide range of techniques are employed, from stateoftheart computer simulation algorithms to elegant "pencilandpaper" approaches. The range of problems which are currently being investigated include selfassembly in soft condensed matter, criticality in ionic systems, theory of rate constants, multiscale simulation of materials, application of quantum chemistry to the study of failure mechanisms of materials under extreme conditions, statistical characterization of structure in heterogeneous materials, optimal design of composites, application of global optimization to protein folding, theory of supercooled liquids and the glass transition, thermodynamics and dynamics of confined fluids, thermodynamics of protein stability, statistical mechanics of protein evolution, and nucleation theory.
Faculty  Research Area  
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 



Christodoulos A. Floudas 
Process synthesis, design and operations; Mixedinteger nonlinear optimization; Global optimization; Computational Biology and Chemistry; Proteomics 



Athanassios Z. Panagiotopoulos 
Molecular simulation of fluids, materials and biological systems; Thermodynamic analysis of processes; Ionic liquids and their applications; Computational Material Science 



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. 