【On-demand】Expanding Matlantis Applications with Coding Agents: A New Workflow for computational chemistry using natural language

Event Overview

The workflow of computational chemistry involves many time-consuming tasks before the actual analysis can begin, such as preparing structural files, setting calculation conditions, and aggregating and visualizing results. In addition, the calculation process itself relies on the know-how of experienced professionals, making it difficult for those without expertise in computational chemistry to know where to start, thus creating a barrier to entry.

Amidst these developments, and with the advancement of generative AI exemplified by ChatGPT and Claude, "coding agents" that write and execute code based on natural language instructions are beginning to be used in research and development settings. In this webinar, following the release of a skill specifically for computational chemistry workflows in Matlantis, we will introduce practical methods for computational chemistry using coding agents.

By enabling natural language dialogue, computational chemistry experts can delegate non-essential tasks to coding agents and dedicate their time to the studies they truly care about. Even non-experts are finding ways to try out calculations they previously had to outsource. We will discuss what is currently possible, tips for effective use, and current limitations, including real-world examples of using coding agents.

Agenda

• What is a coding agent? ~The current state of development support using generative AI~
• Regarding the release of Matlantis-specific skills: ~What can you do now?~
• Demo: computational chemistry Starting with Natural Language - From Structure Creation to Analysis -
• Case Study: A computational chemistry Project Using a Coding Agent
• What can and cannot be done in the current situation, and tips for making the most of it.
• Question and Answer Session

※2026年6月に開催されたウェビナーのアーカイブ配信です。

【Speakers】

Matlantis Corporation

Takahiro Hirai

Graduated from the Department of Chemistry and Life Chemistry, Faculty of Advanced Science and Engineering, Waseda University in 2016, and completed the Master's program in Chemistry and Life Chemistry at the same university in 2018. Worked at a materials manufacturer, engaging in computational science, materials informatics, and battery materials development. Assumed current position in 2024.

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