Summary Knowing and understanding the thermophysical properties of fluids and solids, respectively, is essential for designing efficient chemical processes and for developing new materials.
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 experimental laboratory data. Macro-molecules in solution, in a melt or in a solid state, exhibit a wide variety of conformations and a wide spectrum of relaxation times that make studying them both interesting and challenging. The complexity of these systems requires new, sophisticated simulation methods capable of describing their microscopic behavior efficiently.