Thermodynamics of Proteins in Membranes
Microscopic Wetting Phenomena
Nanoparticles in Polymers
Parallel Computing
Molecular Thermodynamics and Modeling of Materials 

Research Interests

Rapid advances in fields ranging from molecular biology to nano-structured materials reveal a greater need for fundamental understanding at molecular length scales, and a need to establish clear connections between microscopic information and macroscopic properties. Our research focuses on developing and applying modern simulation methodologies to enable the study of equilibrium structures, fluctuations, and dynamics of multicomponent systems at atomistic and molecular detail. We are particularly interested in designing new techniques to study interfacial phenomena. Among the systems we focus on are:

  • Transmembrane proteins and their association thermodynamics in lipid membranes
  • Interfaces between self-assembled monolayers and liquids
  • Macromolecules at interfaces and mixed with nanoparticles