報告題目：Approaching larger scales in polymer simulations
報 告 人：呂中元 教授（吉林大學）
報告時間：2015年11月26日下午2:50-3:40
報告地點：化學樓二樓一號會議室
報告人簡介：
呂中元，吉林大學教授、博導，國家杰出青年科學基金獲得者。吉林大學高分子化學專業理學學士；理論化學理學博士學位；德國Bergische Universität Wuppertal物理系博士后。主要研究方向：高分子物理，物理化學及功能高分子材料理論設計與模擬。
報告簡介：
In polymer simulations related to structure formation and phase separation, the polymer chains have to move a large distance to form domains at nanoscale or even larger. Due to large molecular size and slow relaxation of the polymer chains, a great amount of issues related to long-distance chain displacement cannot be tackled easily with conventional molecular dynamic simulations. We therefore have to consider the systematic coarse-graining and enhanced sampling so that we can access to equilibrium structures of phase separation or self-assembly in polymer simulations. A stochastic reaction model coupled with coarse-grained simulations will be used to cope with the problems influenced by the coupling of polymerization and chain diffusion. We have also developed a GPU-accellerated molecular simulation tookit for use in coarse-grained simulations of polymer systems with several unique simulation tools implemented.
