Research Group on Computational Polymer Science

Research Group on Computational Polymer Science
　
Activity
　The purpose of the research group on computational polymer science is to study various phenomena and material properties of polymeric systems by means of computer simulations. Because the spatiotemporal scales of static and dynamic phenomena in polymeric systems are distributed more widely than those in low molecular systems,to tackle the wide range of phenomena in polymeric systems we use various calculation techniques such as quantum chemical calculations,full atomistic molecular dynamics,coarse-grained molecular dynamics,rheology simulation techniques,dissipative particle dynamics, mean field theory,self-consistent field theory, and continuum field methods,e.g.,finite difference,finite element, and so on.Quantitative structure-property relationships and performing big data analytics of experimental data obtained from SAXS,SANS and so forth,are also our targets.Recently,novel technologies,such as artificial intelligence (AI),materials informatics (MI),and quantum computing have also been applicable.
The research environment of computational sciences has changed drastically from that in the mid-1980s,when the research group on computational polymer science was founded. Simulation techniques and hardware have been significantly progressing and parallel computations have nowadays become a mainstream technique for dealing with large systems.Thus,the mission of our research group is to introduce developments in computational sciences and technologies into our research field in a rapid and efficient manner.Our research group selects hot topics in the studies of computational polymer science performed by researchers and groups in academia,national research institutes, and industries,and holds periodic lectures and forums, as well as an annual workshop. These meetings will give researchers in this field an opportunity to obtain the latest information and to discuss computational techniques with each other.


Chairperson
Kubo Hiroki
(Kao)


Research Groups
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