[Webinar]Understanding Electronic Structure of Halide Perovskites

virtuallab — Wed, 17 Mar 2021 03:50:42 +0000

MatSQ Webinar

MatSQ 110: Understanding Electronic Structure of Halide Perovskites : First-Principles Calculations

Join the MatSQ 110 webinar! This webinar will cover the electronic structure of halide perovskite materials, and also show you how to optimize the structure and calculate the orbital-resolved band structure, using the MatSQ in the following tutorial section.

︎ Schedule : Tuesday, March 30, 2021 @ 2:00 PM(Seoul, KST)

︎ Presenter : Jung-Hoon Lee, Ph.D. (Senior Researcher Scientist, Korea Institute of Science and Technology)

︎ Contents :

Basics of DFT
Solar Cell and Halide Perovskites
Electronic Structure of Materials

︎ Tutorial Section : Structure Optimization and (Orbital-Resolved) Band Structure Calculations using Materials Square Platform

[Webinar] A New Paradigm of Materials Research-ML(CGCNN)

virtuallab — Wed, 24 Feb 2021 06:08:27 +0000

MatSQ Webinar

A New Paradigm of Materials Research – Machine Learning(CGCNN)

Join the MatSQ 109 webinar to learn how to use CGCNN feature on Materials Square. In this webinar, you’ll learn the basic theory of machine learning(ANN, CNN, and GNN) for materials simulation and how to use CGCNN module on MatSQ.

︎ Presenter: Minkyu Park, Ph.D. (CSO/Virtual Lab Inc.)

︎ Contents:

– Graph Neural Network(GNN) and Convolution Neural Network(CNN)
– Crystal Graph Convolution Neural Network(CGCNN)
– Tutorial: CGCNN on Materials Square

Please download the files below for a tutorial session.

Structure file: https://bit.ly/3dGrQip
Training set: https://bit.ly/3bRvQKv
Presentation file: https://bit.ly/301CTue

Webinar – Virtual Lab Inc.

[Webinar]Understanding Electronic Structure of Halide Perovskites

MatSQ Webinar

MatSQ 110: Understanding Electronic Structure of Halide Perovskites : First-Principles Calculations

[Webinar] A New Paradigm of Materials Research-ML(CGCNN)

A New Paradigm of Materials Research – Machine Learning(CGCNN)