Welcome! These pages are designed to provide current information on group research, teaching and publications.
New and noteworthy: Prof. Panagiotopoulos was elected Fellow of the American Academy of Arts and Sciences in April of 2012. The undergraduate textbook "Essential Thermodynamics" was published in early 2011 and is now being used in the core CBE 246 course.
Research in the 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 in 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 observed macroscopic properties. A major component of our work requires large-scale numerical calculations using a number of powerful molecular simulation methodologies. An example of such a methodology is Gibbs ensemble Monte Carlo, which provides a direct way to obtain coexistence properties of fluids from a single simulation.