A modified strain gradient theory for analysis of microstructures

Dr. Thái Hoàng Chiến, member of DCM presented about A modified strain gradient theory for analysis of microstructures

In this talk, Dr. Thái Hoàng Chiến focused on introduction to the modified-strain gradient theory for analysis of microstructures. The principle of virtual work is used to derive discretize governing equations. In addition, two numerical methods including isogeometric analysis and meshfree are also used to solve those equations. Numerical results are compared with the experiment, analytical and other numerical ones.

Dr. Ngô Sơn Tùng, Head of TCB Lab presented: An introduction to the computer-aided drug design approach

Currently, the computer-aided drug design becomes one of the most powerful methods screen out potential drug candidates for various diseases. It is associated with characterization and determination the Gibbs free-energy difference, involved a large number of biological processes including the binding of two or more biomolecules. The accurate determination or ranking of the binding affinity is a prerequisite for the synthesis of potential inhibitors that would allow for the reduction of therapeutic development and medication cost. Therefore, in this talk, we target an introduction to the basic of computer-aided drug design.

Dr. Nguyễn Minh Tâm, member of COMCHEM Group presented: An introduction to the Electron Localization Function (ELF)

One of the most important models to understand chemistry is the electron pair of Lewis: “in an atom or molecule, each pair of electrons has a tendency to be drawn together”. This important model is at the very beginning of any General Chemistry textbook. In quantum chemistry, along with the development of the density functional based calculations, the electron localization function (ELF) has emerged as a powerful tool to understand in a qualitative way the behavior of the electrons in a nuclei system and provides the insight of the empirical concept of electron localization, specially the pair electron localization in the spirit of Lewis structures. It is possible to explain a great variety of bonding situations ranging from the most standard covalent bond to the metallic bond.  The principal ingredients involved in the ELF and their relation with chemical concepts will be discussed in this seminar.

The seminar attracted the attention and participation of researchers, lecturers and students of the University. This is a regular scientific activity at Ton Duc Thang University to share and introduce new research results of scientists and promote scientific research activities at TDTU.