J-OCTA Users Conference 2015
We will hold "J-OCTA Users Conference" this year too.
In conference, we will have lecture from the leading person of the material properties simulation field with J-OCTA in the laboratory of university or corporate. Also, a new function and development road map of J-OCTA will be announced from JSOL. We are confident that the conference achieve technical information sharing and improvement of knowledge.
Especially, this year is J-OCTA 10th anniversary. We will proceed to make it substantial conference.
We look forward to your participation.
Outline
| Organizer | JSOL Corporation |
|---|---|
| Dates | Friday, Nov. 27, 2015 |
| Venue | Room 406, Tokyo Conference Center SHINAGAWA (Tokyo, Japan) http://www.tokyo-cc.co.jp/eng/access_shinagawa.html  |
| Expected number of participants | Approximately 100 |
| Participate Fee | JSOL Product User : Free Non User : 10,000(JPY) |
Program
| 09:50-10:00 | Opening Remarks |
|---|---|
| 10:00-10:20 |
Status and roadmap of J-OCTA
Dr. Taku Ozawa,
Current status and roadmap of J-OCTA are announced.JSOL Corporation |
| 10:20-11:20 | Keynote Speech 1 Onsager principle and its applications to flow-diffusion phenomena in soft matter
Dr. Masao Doi, Professor
Onsager principle is a general principle which governs the dynamics of soft matter[1,2]. Many basic equations which describe non-linear and non-equilibrium phenomena in soft matter have been derived from this principle. Here I will show that the principle is quite useful in analyzing the coupled problems of flow and diffusion in soft matter, such as wetting, drying and gelation processes.Research center of soft matter physics and its applications, Beihang University |
| 11:20-11:50 |
Applications of FMO program ABINIT-MP to manufacturing fields
Dr. Yuji Mochizuki, Professor
The fragment molecular orbital (FMO) method is one of fragmentation-based methods applicable to large molecular systems in a fully quantum mechanical framework. The inter-fragment interaction energy (IFIE) values obtained by FMO calculations have been used as useful indices to grasp the nature of interactions in the fields of pharmachemistry and biophysics. Recently, the FMO applications have been extended to various problems of nano-biotechnology and general polymer chemistry. In this talk, the FMO method will be briefed, and then illustrative applications made with our FMO program ABINIT-MP (e.g., estimation of Chi-parameters) will be presented. Future directions will be addressed as well.Department of Chemistry, Faculty of Science, Rikkyo University |
| 11:50-12:00 | Introducing for exhibitor |
| 12:00-13:00 | Lunch Time |
| 13:00-14:00 | Keynote Speech 2 Evaluating the strength and properties of structural materials from atomistic and electronic simulations
Dr. Hajime Kimizuka, Associate Professor
In order to improve the mechanical performance of structural materials used in industrial applications, it is important to properly understand the atomic-scale factors that affect the reinforcement or degradation of materials in the bulk, surface, and interface regions. In this talk, I provide an overview of the approach for analyzing the atomic mechanisms related to the strength and properties of structural materials using the atomistic and electronic simulations, such as first-principles and molecular-dynamics calculations. The results for metallic and inorganic materials are mainly presented as examples. The advantages, limitations, and future subjects of their simulation methods are also discussed.Department of Mechanical Science and Bioengineering, Graduate School of Engineering Science, Osaka University |
| 14:00-14:30 |
Large scale molecular dynamics simulations of rubbers for tires using K computer
Dr. Masato Naito, Assistant Manager
These days, there is a high demand for tuning the various properties of tires for saving the global environment. Therefore, we need to accelerate the material developments using the knowledge obtained by studies at the molecular scale. We develop rubber materials using the molecular simulations to improve the properties of rubber. In this presentation, we will discuss a part of these projects, including large scale molecular dynamics simulations of rubbers for tires using K computer.Material Research & Development HQ. Material Dept. Ⅲ SUMITOMO RUBBER INDUSTRIES, LTD. |
| 14:30-15:00 | Coffee Break |
| 15:00-15:30 |
OCTA/COGNAC updates, and introduction of some applications
Dr. Takeshi Aoyagi , Senior R&D Associate
New functions, e.g. tethered force, Buckingham potential, Debye function and Morse pair interaction, and enhanced function, e.g. table potential and reaction, which are implemented in new version of OCTA/COGNAC will be introduced. In addition, some multiscale/multiphysics examples of the application of OCTA will be presented.Analysis & Simulation center, Asahi Kasei Corporation |
| 15:30-16:00 |
New functions of OCTA
OCTA Users Group
The latest functions of OCTA are introduced. |
| 16:00-16:40 |
Introduction of J-OCTA V2.0
Mr. Kousuke Ohata,
This presentation will provide an overview of the latest release of J-OCTA 2.0 , including the recent development projects.JSOL Corporation |
| 16:40-16:55 | Coffee Break |
| 16:55-17:25 |
Molecular dynamics analysis of physical properties of refrigerant-lubricant oil mixtures and reactive coarse-grained molecular dynamics simulations of epoxy resins
Dr. Taisuke Sugii, Researcher
In this presentation, some research results by molecular dynamics and coarse-grained molecular dynamics are presented.
First, we show the evaluation results of physical properties of refrigerant-lubricant oil mixtures by molecular dynamics simulations. The solubility and viscosity of the mixtures are evaluated by the molecular dynamics method and compared with experimental results. The dominating molecular structures for these properties will be discussed.
Second, results of reactive coarse-grained molecular dynamics simulations of epoxy resins are also presented. The molecules were coarse-grained by the iterative Boltzmann inversion method and a simple reactive scheme was introduced. Molecular structures near a solid surface and calculation results of glass transition temperatures will be discussed.Advanced Simulation Research Department, Center for Technology Innovation - Mechanical Engineering, Research & Development Group, Hitachi, Ltd. |
| 17:25-17:55 |
Molecular Dynamic Simulation of Slurry Coating Process
Mr. Kei Morohoshi,Assistant Manager
Material Development Div., Toyota Motor Corporation |
| 17:55- | Closing Address |
| 18:00-19:30 | Convivial Party |
Contact
J-OCTA Users Conference Secretariat
Engineering Technology Division
JSOL Corporation
E-Mail : event@sci.jsol.co.jp
