Center for Advanced Intelligence Project

Molecular Informatics Team (https://aip.riken.jp/labs/goalorient_tech/mol_inf/) at RIKEN AIP

Speaker 1: Koji Tsuda (10min)
Title: Overview of Molecular Informatics Team
Abstract:
In molecular informatics team, we develop computational methods for analyzing and developing molecules and materials. We focus on machine learning driven design of new materials and proteins, and functional analysis of protein dynamics using the rigidity theory. I introduce our activities briefly in this talk.

Speaker 2: Masato Sumita (45min)
Title: Informatics driven research for advanced materials based on physicochemistry
Abstract:
The development of nano-technology widely realized us the effectiveness of controlling materials at the atomistic level. Many studies at the atomistic level are accumulated in physicochemical theories. However, the atomistic-level control of materials using these theories is not easy because of complexity of the atomistic arrangement of materials. Machine learning is useful to deal with this complexity. In this seminar, we will show some successful examples where machine learning compensates physicochemical theories to search or design materials.

Speaker 3: Adnan Sljoka (45min)
Title: Rigidity theory of frameworks and graphs with applications to protein structure validations and functional analysis
Abstract: TBD

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