Welcome to the Hoffmann Group


Our research looks at bonding in all types of chemical systems--discrete molecules or extended solids, organic or inorganic. While our methods rest on detailed, reliable calculations, our interests lie more in building qualitative understanding than in producing high-precision computational data. Through our analysis of specific bonding puzzles, we hope to provide a conceptual framework that will aid experimentalists in their attempts to synthesize new compounds with unusual structures and interesting properties. Click on a project below to learn more.

  

Our Research

Eva's research The Electronic Structure of Alkali Metal-Ammonia Solutions
Eva Zurek
Xiaodong's research Element Lines and the Electronic Structure of Ternary Gold Polyphosphides
Xiaodong Wen
Abdel's research Theoretical Studies of DNA Intercalation of Small Drug Molecules
Abdel Rawashdeh
Tom's research Theoretical Design of Fuel Cell Electrode Surfaces
Tom Cahill
Paulina's research SnH4 Under Pressure: The Search for Metallic Hydrogen
Paulina Gonzalez-Morelos
Rob's research Demystifying Huge Ionic and Intermetallic Unit Cells
Rob Berger, with Prof. Stephen Lee



Created and maintained by Rob Berger.