Molecular computer simulation is used in engineering

The lab is mainly used in the application of the most sophisticated computer computing chemistry in the traditional chemical industry, in order to achieve from the molecular structure of the level of interpretation and solve existing problems, and even stimulate the new scientific research and development.
We are using the "class simulation" technology, that is, complex chemical problems, first resolved in different time and space scale in the small problems in the use of appropriate computer computing methods, one by one to solve the problem. Current research includes the development and application of new methods, 
Such as:
1. Quantitative solution thermodynamic theory
2. Molecular simulation of rapid capture of molecular free energy
3. Effects of chemical contaminants on the environment
4. Predict the balance between organic and macro-molecules 
5. Fuel cell new material 
6. Nano machinery and so on 

Subpages (1): Principle Investigator