自2026年起，化學年會壁報競賽之年會投稿系統中，已正式將「理論計算（Theoretical and Computational Chemistry）」納入，此獎項為本會與化學年會共同聯名設立。

2026 年化學年會海報摘要投稿截止時間為 2026 年 1 月 15 日，有意進行壁報發表者，請務必於期限內完成投稿。

【2026 年化學年會資訊】
年會網站：https://2026cnm.conf.tw/site/page.aspx?pid=901&sid=1661&lang=en
會議日期：2026 年 3 月 6 日至 3 月 8 日
會議地點：國立中興大學

<恭喜得獎者>

Yu Wei Wu, 國立清華大學

Establish Computational Protocols for Viscosity Prediction for Polymers: Based on Molecular Dynamics Simulations with Quantum-Mechanical-Derived Forcefields

Ming-Yang Tsai, National Central University

Developing De Novo D-Peptides Against E. coli via a Hierarchical Antimicrobial and Hemolytic Property Prediction Framework

Yi Chen, National Tsing Hua University

Machine Learning Accelerated Kinetic Modeling of the Hydrogen Evolution Reaction on High-Entropy Alloys: From Adsorption Free Energies to Simulated Polarization Curves

Ying Ju Wu, 國立中央大學

Fragmented-Based Machine Learning Models to Improve Photovoltaic Conversion Efficiency Prediction of Organic Dye-Sensitized Solar Cells

Shao-Chi Wu, National Central University

Graph-Based Learning for Stable Antimicrobial Peptide Design: Incorporating DAmino Acids and Conformational Flexibility

Kuei-Jhong Lin, National Tsing Hua University

Development of a Protocol for Predicting Charge Carrier Mobility in Amorphous Polymers via Multiscale Simulation

Chih-Yung Hou, NTU

Semi-Transferable Electronic Coupling Prediction in Organic Semiconductor Dimers via a Two-Step Machine Learning Framework