Athanassios Z. Panagiotopoulos
Professor
Chemical and Biological Engineering
Princeton University
United States of America
Biography
Research in our group focuses on development and application of theoretical and computer simulation techniques for the study of properties of fluids and materials. Emphasis is on molecular-based models that explicitly represent the main interactions among microscopic constituents of a system. These models can be used to predict the behavior of materials at conditions inaccessible to experiment and to gain a fundamental understanding of the microscopic basis for the observed macroscopic properties. A significant fraction of this work involves large-scale numerical calculations on parallel supercomputers and clusters of workstations.
Research Interest
Environmental and Energy Science and Technology Materials Synthesis, Processing, Structure and Properties Thermodynamics and Statistical Mechanics
Publications
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Pinar Akcora, Hongjun Liu, Sanat K Kumar, Joseph Moll, Yu Li, Brian C Benicewicz, et.al, 2009, Anisotropic self-assembly of spherical polymer-grafted nanoparticles, JNM, 8, 354
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AZ Panagiotopoulos, N Quirke, M Stapleton, DJ Tildesley, 1988, Phase equilibria by simulation in the Gibbs ensemble: alternative derivation, generalization and application to mixture and membrane equilibria, JMP, 63, 527-545
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Athanassios Z Panagiotopoulos, 1987, Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble, JMP, 61, 813-826
