Program Program book downlad Poster Session download

09:00~ Registration

09:30-09:40 Opening Remarks

Prof. Hsiao-Ching Yang

Prof. Jyh-Chiang Jiang (T²CoMSA Chairman)

Session I: Physical Chemistry and Machine Learning

Chair: Prof. Ming-Kang Tsai (NTNU)

09:40-09:55 關凱元Kai-Yuan Kuan

Academia Sinica

Machine Leaning Aided Prediction of Selectivity for Reactions with Ambimodal Transition States

09:55-10:10 舒瓦塔Shweta Jindal

Academia Sinica

Amalgamation of fragments based methods with deep learning for H-bonded clusters

10:10-10:25 鄒沛剛Pei-Kang Tsou

Academia Sinica

A machine learning assisted scheme to reveal reaction mechanism of sodiated aldohexose pyranoses under CID conditions

10:25-10:40 林紘玄Hung-Hsuan Lin

Academia Sinica

A Two-step Machine-learning Approach Toward the Accurate Prediction of Charge-transfer Coupling

10:40-10:55 Break & Group Photo

Session II: Molecular and Biological System Characterizations (I)

Chair: Prof. Min-Yeh Tsai (TKU)

10:55-11:10 黃俊銓Chun-Chuan Huang

National Taiwan University

The Effect of Linker in Singlet Fission Rates of Covalently-linked Dimers

11:10-11:25 吳其錡Chi-Chi Wu

National Taiwan University

Reducing the Internal Reorganization Energy via Symmetry Controlledπ-electron Delocalization

11:25-11:40 蘇冠璇Kuan-Hsuan Su

Fu Jen Catholic University

Clinical Study of Genetic Mutations of FOXG1 with Protein-DNA Interactions to Rare Disease

11:40-11:55 蔡宜蓁Yi-Chen Tsai

National Cheng Kung University

Molecular Studies on the Impact of Fatty Acid on the Biophysical Properties of IPA Bilayer

11:55-12:20 The General Meeting of Taiwan Theoretical and Computational Molecular Sciences Association (T²CoMSA) 第三屆第三次會員大會

12:20-13:40 Lunch Break

(13:00 - 13:40 第三屆第七次理監事聯席會議）

13:40-14:50 Poster Session

Session III: Materials Modeling

Chair: Prof. Chen-Hao Yeh (FCU)

14:50-15:05 謝冠丞Guan-Cheng Xie

National Taiwan University of Science and Technology

Insights into Methane conversion over RuO₂ (1 1 0) catalyst-A combined DFT and Microkinetics study

15:05-15:20 許世宏Shi-Hong Xu

National Taiwan University of Science and Technology

A Theoretical Study on Stability of Mn-doped CsPbI₃ Perovskite under Light and Ambient Environment

15:20-15:35 任剛Ranganathan Krishnan

National Taiwan Normal University

Bifunctional MgCO₃ Based Catalysts with Transition Metal Doping for CO₂RR Mechanism: A Computational Chemistry Perspective

15:35-15:50 Break

Session IV: Molecular and Biological System Characterizations (II)

Chair: Prof. Hsing-Yin Chen (KMU)

15:50-16:05 蕭榮殷Jung-Yin Hsiao (Chinese)

National Taiwan Normal University

Edge geometry controlled topological classification of chiral carbon nanotubes via natural helical symmetry

16:05-16:20 巫慶鴻Ching-Hung Wu (Chinese)

National Chung Cheng University

Solvation-Shell-Induced Entropic Repulsion and Insights into Solvent Quality of Poly(3-hexylthiophene) Solutions

16:20-16:35 蔡政庭Cheng-Ting Tsai (Chinese)

National Central University

Predictive Model of Helical Antimicrobial Peptides against Specific Strains using Machine Learning

16:35-16:50 鄞嘉賢Jia-Xian Yin (Chinese)

National Yang Ming Chiao Tung University

Theoretical Investigation of Binding Mechanism between CXCR3 and Chemokines

16:50-17:30 Award Ceremony and Closing Remarks

Prof. Jyh-Chiang Jiang (T²CoMSA Chairman)

Previous Conferences www.t2comsa.tw/seminar/