An improvement of polymerization processes is still important practically although it has been rather empirical. A prediction method for properties of polymers has been also demanded. In this study, we integrated our original computational chemistry simulators, e.g., classical molecular dynamics simulator with chemical reaction extension, thermal conductivity simulator, viscosity simulator, accelerated quantum chemical molecular dynamics simulator, and electrical conductivity simulator, in order to theoretically study the polymerization processes.
|Number of pages||2|
|Publication status||Published - Dec 1 2006|
|Event||55th Society of Polymer Science Japan Symposium on Macromolecules - Toyama, Japan|
Duration: Sep 20 2006 → Sep 22 2006
|Other||55th Society of Polymer Science Japan Symposium on Macromolecules|
|Period||9/20/06 → 9/22/06|
All Science Journal Classification (ASJC) codes