Expertise

Research Introduction

  1. Intermolecular interactions
  2. Interaction energy from ab initio calculations
  3. SAPT: What's in the name?
  4. SAPT in practice: variants and implementations

Research in our group - specific topics

  1. Towards general open-shell SAPT and SAPT(DFT)
  2. Accurate ab initio description of physisorption
  3. Ultra-accurate potentials and properties of small dimers and trimers

Research Area

  • Physical

Research and Teaching Interests:

  • Theoretical and computational study of weak intermolecular interactions.

We are a theoretical and computational chemistry group. We use the methods of quantum mechanics and powerful computers to study the properties of molecules and clusters. In particular, we are interested in weak intermolecular interactions and the methods that can be used to calculate the interaction energy accurately and efficiently.

Affiliations

S. D. and Karen H. Worley Associate Professor, Department of Chemistry and Biochemistry, College of Sciences and Mathematics, Auburn University

Past Affiliations

Associate Professor, Department of Chemistry and Biochemistry, College of Sciences and Mathematics, Auburn University

Department of Physics and Astronomy, College of Arts and Sciences, University of Delaware (past)

Assistant Professor, Department of Chemistry and Biochemistry, College of Sciences and Mathematics, Auburn University

Communities
Biochemistry, Cellular Biochemistry, Molecular Biochemistry
Degrees
PhD, University of Warsaw, Poland, Chemistry, 2003
MS, University of Warsaw, Poland, Chemistry, 1999