Our research focuses on the discovery and design of biomaterials and nanomaterials guided by multiscale simulation, model developments, and data science/machine learning. We develop and apply computational tools for simulations of inorganic and organic compounds at a scale of 1 to 1000 nm, including the Interface force field and a surface model database. These potentials and surface models provide the most accurate coverage for many compounds and are extended towards the entire periodic table and modeling of chemical reactions. Key areas of research using these and other tools include the development of new generations of catalysts for fuel cells and biofuel conversion, strong and lightweight composite materials, as well as biominerals and vehicles for drug delivery. A key strength is the simulation of biotic-abiotic interactions in highest accuracy. IFF is also widely applied for the simulations of building materials.
CHEN 4130 - Chemical Engineering Laboratory
Fall 2018 / Fall 2019 / Spring 2021
Involves planning and execution of chemical engineering experiments on mass transfer operations, separations, and chemical reactors. Interprets experimental data with theoretical principles and statistical analysis. Emphasizes communication with written memos, full reports, and oral presentations.
CHEN 4440 - Chemical Engineering Materials
Spring 2018 / Spring 2020 / Spring 2021
Introduces materials engineering, including properties of polymers, metals, ceramics, and semiconductors, especially as related to chemical engineering processes.