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台灣理論計算分子科學學會自2021年起建置一個平台能讓會員們多了解年輕學者的研究方向，促進相互了解。「理論與計算分子科學論壇」將採線上演講方式(Webex)進行，時間訂於每月最後一週的週四晚上6點開始。

【理論與計算分子科學論壇】

Speaker: Prof. Tzu-Hsiung Yang (Department of Chemistry, National Tsing Hua University)  

Website: https://www.tyanglab.com/zh

Title: Deep Generative Models: A New Method for Molecular Discovery

Time: 6:00pm, Thursday, November 24, 2022

Registration:  https://forms.gle/9XQzYREPA6svrocz8

Registration deadline: 12:00pm, Thursday, November 24, 2022

Language: English

Abstract:

Deep generative models have emerged as a promising way for molecular discovery. They have shown great potential in designing molecules such as organic photovoltaics and drug-like molecules. In this talk, I will first go through a review on the developments of machine learning and deep learning for chemical applications, with the emphasis on their involvement in molecular generation via deep generative models (DGMs). I will then review state-of-the-art DGMs such as variational autoencoder (VAE), generative adversarial network (GAN), recurrent neural network (RNN), and flow. Lastly, I will go through our recent work on applying VAE models to discover optoelectronic materials.

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台灣理論計算分子科學學會

Taiwan Theoretical and Computational Molecular Sciences Association

Website: http://www.t2comsa.tw/

FB: https://www.facebook.com/t2comsa/

Email: t2comsa@gmail.com

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