主講人:高橋開人副研究員 (中央研究院原子與分子科學研究所)
題目:What are quantum chemists doing now?
時間:110年7月29日(四) 18:00
報名對象:本會會員
線上報名:https://forms.gle/D5yjaqYKrTzEUnfP8
報名截止時間 :110年7月29日中午12點止
演講語言: 英文 (Language: English)
大綱:
In this talk, I will not talk about my research. Instead, I will survey some of the interesting (to me) research that is being performed in the field of quantum chemistry recently. First, I will briefly review the present state of quantum chemistry calculations in terms of accuracy by looking at some recent benchmark reports. Then we will ask if machine learning can help us develop better density functionals to be used to calculate unknown molecules. After looking at some pitfalls of the current use of density functional theory, we will end by asking if quantum chemistry calculation really helps us understand chemical concepts or not.