AIMR Math Group Seminar #13

FY2018

 

Date : Dec 14th (Fri.) 10:00~12:00

Place:3C, AIMR Main Bldg., Katahira campus, Tohoku University


SpeakerDr. Xi-Chan Gao

Title : Development of Polarizable Force Field

 

Abstract

Polarizable force field as a common theoretical method has
important applications in many fields such as biochemistry,
electrochemistry and material chemistry. In this talk I will introduce two parts of work. First, I have developed a new polarizable dipole-dipole interaction model for hydrogen bonding, stacking, T-shaped and X-H∙∙∙π interactions, the polarizable model and its applications will be introduced. Second, based on the well-known AMOEBA force field, I made a further improvement to enable it to be applied to lithium ion battery, I will present the improved strategy and current effect.BA

 

 

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 Advanced Institute for Materials Research Tohoku University Mathematical Group
 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577 Japan 【Access/Contact