Theoretical and computational chemistry
Topic
Symposium

有效日期:
From [03/08/2021]
To [09/07/2021]

召集人:陳信達/Hsing-Ta (Theta) Chen

hsingc(at)sas.upenn.edu

Postdoctoral Researcher, University of Pennsylvania

組員:

莊宸/Chern Chuang, 戴宏軒/Hung-Hsuan Teh, 施欣妤/Petra Shih, 孫欣/Shin Sun, 陳威智/WC Chen, Wilson Wei, ‪Chi-Jui Feng, Ted Chang

Goal

The scope of theoretical and computational chemistry is no longer limited to chemical problems. On the one hand, theoretical chemists have developed a variety of methods that have been widely used for condensed phase physics and material science. On the other hand, many modern techniques, such as machine learning and quantum computing, have a profound impact on recent development of theoretical and computational chemistry. The goal of this topic symposium is to provide an informal/casual platform to share tentative perspectives and research papers that the speakers find interesting.

Format

  • 主講者與主持人對談45分鐘

  • 聽眾Q&A10分鐘

  • 決議下次會議主題5分鐘

Schedule

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S2E6 | 08/25/2021 | TBD

S2E5 | 08/11/2021 | Theta Chen

S2E4 | 07/26/2021 | Chern Chuang

S2E3 | 07/19/2021 | Wei-Tao Peng

S2E2 | 06/28/2021 | Chi-Jui Feng (continued)

S2E2 | 06/21/2021 | Chi-Jui Feng

S2E1 | 06/14/2021 | Ted Chang

---------------------------------------------------------------------------------

S1E7 | 05/10/2021 | Theta Chen

S1E6 | 05/03/2021 | Wilson Wei

S1E5 | 04/19/2021 | Petra Shih

S1E4 | 04/12/2021 | WC Chen

S1E3 | 03/29/2021 | Hung-Hsuan Teh

S1E2 | 03/22/2021 | Shin Sun

S1E1 | 03/08/2021 | Chern Chuang

---------------------------------------------------------------------------------




會議內容

討論日期

討論主題

報告人

Season 2

08/11/2021


Use of Floquet Theorem in Light-Driven Molecular Dynamics

J. Chem. Phys. 153, 044116 (2020)

J. Chem. Theory Comput. 16, 2, 821–834 (2020)

Theta Chen

07/26/2021


Universal Scalings in 2D Anisotropic Dipolar Excitonic Systems

Phys. Rev. Lett. 127, 047402 (2021)

Chern Chuang

07/19/2021


Real-time time-dependent wavefunction-based method for simulating electron dynamics

Wei-Tao Peng

06/28/2021

06/21/2021


How much information we can get about conformational variation of peptides/protein and solvation structure/dynamics using 2D IR spectroscopy and computational models

J. Chem. Phys. 147, 085101 (2017)

Biophysical journal 114.12 (2018): 2820-2832.

Chi-Jui Feng

06/14/2021

Quantum stabilization of microcavity excitation in a coupled microcavity–half-cavity system

Phys. Rev. B 101, 024305 (2020)

Ted Chang

Season 1

05/10/2021

Quantum Non-demolition measurement for photon counting

Phys. Rev. A 102 (6), 061501 (2020)

Theta Chen

05/03/2021

Electron transfer in confined electromagnetic fields

J. Chem. Phys. 150, 174122 (2019)

Wilson Wei

04/19/2021

Vibrational heat-bath configuration interaction

J. Chem. Phys. 154, 074104 (2021)

Petra Shih

04/12/2021

Next Generation of OLED Materials

WC Chen

03/29/2021

Weyl and Dirac semimetals in three-dimensional solids

Rev. Mod. Phys. 90, 015001 (2018)

Hung-Hsuan Teh

03/22/2021

Introduction to Quantum Computing in Chemistry

Shin Sun

03/08/2021

Quantum chaos in retinal rhodopsin photoisomerization

arXiv:2011.14342

Chern Chuang