Francesco Buda, Dr.

  • Assistant professor
Research area:
  • Car-Parrinello MD simulations and computational chemistry

Telephone number
+31 (0)71 527 5723
E-mail address
Faculty of Science, Leiden Institute of Chemistry, Solid State NMR
Office address
Gorlaeus Laboratories
Einsteinweg 55
2333 CC Leiden
roomnumber DM1.18


Ph.D., 1989, International School for Advanced Studies, Trieste, Italy Research Interests Computational modeling is nowadays an important tool complementary to experiment in characterizing complex systems at a microscopic level. Our research is focused on the application and development of state-of-the-art computational physics and chemistry tools to investigate molecular mechanisms in protein and protein aggregates. A long-term goal is to employ biological principles in producing synthetic devices on the nanometer scale. We are also interested in enzyme catalyzed oxidation reactions that are industrially and pharmacologically relevant. The Computational methods mainly used in our group include: * Density Functional Theory * Car-Parrinello ab-initio molecular dynamics * Classical force-field Molecular Dynamics * Hybrid Quantum-Mechanics Molecular-Mechanics (QM-MM) methods