Multi-Scale Materials Theory and Simulation Lab

The primary focus of the Multi-Scale Materials Theory and Simulation Lab is research on applying atomistic simulation techniques, such as Monte Carlo methods and molecular dynamics, quantum mechanics, and condensed-matter theory to study materials interfaces.

The lab focuses on technological applications in which innovation hinges on detailed molecular-level understanding. Topics of interest are nanomaterials, wetting, assembly, thin-film and crystal growth, and colloidal interfaces. We are also interested in developing multi-scale simulation methods that allow inclusion of relevant atomic-scale details in macroscopic simulations relevant for engineering design.

Current research focuses in the lab include:

  • Nanomaterials
  • Wetting
  • Assembly
  • Thin-Film and Crystal Growth
  • Colloidal Interfaces

Contact Information



The Penn State Department of Chemical Engineering, established in 1948, is recognized as one of the largest and most influential chemical engineering departments in the nation.

The department is built upon the fundamentals of academic integrity, innovation in research, and commitment to the advancement of industry.

Department of Chemical Engineering

121 Chemical and Biomedical Engineering Building

The Pennsylvania State University

University Park, PA 16802

Phone: 814-865-2574