Computational Crystallography

The method computational crystallography is the new method that has a high-resolution X-ray sources that are currently made, like the LCLS in Stanford and the EXFEL in Hamburg, new methods of data acquisition may become possible only for the structural characterization of Nano-meter sized material that are made up to atomic resolution. In our computational crystallography there are subgroup that are developed for the new crystallographic methods and approaches for developing the ultra-fast structural changes in both micro- and macro-molecular structures and assemblies of both non-periodic or quasiperiodic type. This field of crystallography has been evolved together with the developments in computer science and molecular biology, making three-dimensional structure determination of complex or crystal faster and easy for biological assemblies in this method.

  • Optimization method
  • Sampling method
  • Chain-folded lamellae
  • Gibbs-Thomson equation: Melting of polymer crystals
  • Mechanism of chain unfolding upon Annealing
  • Synthesis of aqueous dispersion of polyethylene Nano crystals

Related Conference of Computational Crystallography

Computational Crystallography Conference Speakers