Concept
Computational chemistry is divided into
three categories in CC symposium.
This division can be also adapted for
experimental chemistry.
We welcome experimental chemists.
1.Materials Science
Next-generation materials have been actively explored. For example, the high-efficient hydrogen-utilization and hydrogen-production have attracted much interest from the viewpoint of "Hydrogen-society" in the near future. Other energetic materials storing chemical energy, functional nanomaterials and other new materials will be discussed.
Keywords: DFT, ab initio MD, Hydrogen-production, Fuel Cell, Secondary battery, Storing energy, Photo-chemistry, Nanomaterials, Ferroelectric, Functional macromolecule etc
2. Biological Science
The recent rapid growth of computing circumstance has enabled a large-scale computation for biological system. An investigation of biological function at molecular level is increasingly becoming possible, combined with the development of calculation method. Hence, computational chemistry has becoming the useful tool in medicine and drug-discovery.
Keywords:
MD, QM/MM, Biological function, Drug-design, DNA, Protein, Enzyme etc
3. Chemical Reaction
Quantum chemistry has succeeded in theoretical investigations on many chemical reactions. Complex chemical reactions on catalyst, organic metal compounds and inorganic complex will be discussed.
Keywords:
Quantum chemistry, Chemical reaction, Catalyst, Organic metal, Inorganic complex, Magnetism, Structure, Light-matter interaction, Laser Field etc
We also welcome theoretical chemistry (physics) and engineering for interdisciplinary discussion on
chemistry and science.
Please see the relationship between computaional, experimental and theoretical chemistry, and engineering.
