Based on Dassault Systemes Digital Technology to Realize the V+R Generative Design of New Materials

Raxx HU1

1Dassault Systemes (Shanghai Information Technology Co., Ltd.), Shanghai, 200000, China

EXTENDED ABSTRACT: Dassault Systemes BIOVIA multiscale-scale material simulation solution provides new material simulation design and evaluation methods to help predict molecular-level material properties, synthesis route analysis and performance. According to different R&D scenarios, the effects of formulation and material modification on the key properties of new materials are predicted. By characterizing the
chemical reactions in the micro-scale interface, the influence of environment can be effectively predicted to optimize the design of material. "Bottom-up" and "top-down" of structure-properties relationship can be established utilizing simulation and machine-learning. Dassault Systmes BIOVIA integrated lab system using our ONELAB solution covering both lab informatics and electronic lab notebook (ELN). We aim at lab management, experimental datapost-processing and R&D data analysis and reuse. An integrated solution is provided covering research, development, testing and quality lab. And being deeply combined with the data engine Pipeline Pilot, the system has a strong secondary development and expansion capabilities for the lab to provide a consistent experience of digital and Dassault Systemes 3DEXPERIENCE® platform enables the whole 12 different industries. It provides cross-disciplinary, cross-regional, and cross-organizational digital solutions which helps customers complete "data-driven intelligent production" from standardization to customization.

Keywords: V+R; New Material Design; BIOVIA; Molecular Simulation; Machine Learning References

Brief Introduction of Speaker
Hu Raxx

Dr. Hu Raxx, who works in Dassault Systemes in Shanghai, is currently the BIOVIA industry process consultant in the Technical Consulting Department of Greater China. He mainly focuses on the applications and landings of computational materials science combined with machine learning in different industry area. He has more than l O years of experience in materials molecular simulation, and has participated in joint scientific research projects relating to property prediction, formula selection and process optimization of new functional materials for many times. The research field mainly covers batteries, energy & materials, transportation & mobility, aviation & aerospace and many other industries. Focusing on research and development of process manufacturing. Dassault Systemes BIOVIA provides integrated "V(Virtual)+R(Reality)" intelligent R&D solutions, covering R&D lab and quality lab. The system can effectively combine the molecular simulation, data modeling and lab informatics by linking lab business and operation & maintenance through a unified data platform. The "future intelligent R&D" lab will be empowered by the "generative material design" platform of Dassault system.