de Pablo Group: Research

Knowing and understanding the thermophysical properties of fluids and solids, respectively, is essential for designing efficient chemical processes and for developing new materials. Our research investigates the thermophysical properties of fluids and solids at a molecular level, and uses molecular-thermodynamic models and statistical-mechanical principles.

Molecular simulations are important to our research. Using advanced methods and powerful computers, we examine molecular motion and probe the microscopic structure of fluids and solids. Based on these studies, we try to explain and predict the macroscopic behavior of these systems. These predictions are then compared to our and our collaborators experimental laboratory data.

Research Topics

Some of the common problems that we work with are:

  • Protein Folding and Aggregation
  • DNA Folding and Hybridization
  • Glassy Materials
  • Block Copolymers
  • Liquid Crystals
  • Development of Advanced Sampling Methods

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