Research Interests and Expertise
  1. Many body effects;
  2. Chemical functionalizations of materials;
  3. Physical properties of materials;
  4. Heterogeneous catalyses;
  5. Method developments in computational materials science;
  6. Programming in Fortran 77/90 and C;
  7. Scientific programming using Numerical Recipes.


Program development
  1. GRID: characterization of Bond Critical Points by an accurate numerical approach. DOI: 10.1002/jcc.20889