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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。更多訊息可參考本會網站：http://www.t2comsa.tw/。

第10場邀請臺大凝態中心林倫年主任與大家線上分享，開放報名中!

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Speaker: Director Michitoshi Hayashi (Center for Condensed Matter Sciences, National Taiwan University)

Title: What does “quantum materials” mean for chemists like us?

Time: 18:00, October 28, 2021

Online Registration: https://forms.gle/Ae3TLFcgFaaAzokWA

Registration deadline: 12:00pm, October 28, 2021

Language: English

Abstract:

Perhaps many of you may have already heard people whispering about “quantum materials”. It would not be trivial for chemists like us to understand what this term means? However, there have been many review papers explaining this term in physics, chemistry, material science, etc. It seems like a promising land is ahead of us.

One of the quite recent issues of chemical review is a special issue focusing on the quantum materials [1~4], introducing them to chemists. The issue [1] says “for chemists, … the simplest of definitions is that a quantum material is one whose electronic or magnetic properties are best described as having a nontrivial quantum mechanical origin…. materials where classical particles or calculations that do not take into account the full character of the system do not adequately describe the electronic or magnetic properties displayed.”

It would be interesting to see how “quantum materials” have been interpreted in chemistry so far. To this end, I will briefly review the relationship between molecules (atoms) and crystalline systems by making, in part, a bridge between the physics and chemistry of crystal. Hopefully, I attempt to provide you with some ideas of quantum materials where the interactions of four fundamental degrees of freedom, lattice, charge, orbital, and spin, are dynamically intertwined. For theoretical/computational chemists, you may be curious about how these freedoms are theoretically treated in crystal chemistry [4,5].

References

[1] Robert Cava, Nathalie de Leon, Weiwei Xie Chem. Rev. 121, 2777−2779, 2021.

[2] Nitesh Kumar, Satya N. Guin, Kaustuv Manna, Chandra Shekhar, Claudia Felser, Chem. Rev. 121, 2780-2815, 2021.

[3] Daniel I. Khomskii and Sergey V. Streltsov, Chem. Rev. 212, 2992-3030, 2021.

[4] Alex Zunger* and Oleksandr I. Malyi Chem. Rev. 212, 3031-3060 2021.

[5] Alexander J. Browne, Aleksandra Krajewska Alexandra S. Gibbs, J. Mater. Chem. C 9, 11640-11654, 2021.

如有任何建議，歡迎不吝與我們聯繫。

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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/

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