Syntheseek

Synthesis method generator

Introduction

We present a two-stage synthesis method generator. This generator is adaptable to things like the user's equipment availability and their target properties.

Stage 1:

Input: Target material

Output: Outline of all existing methods

RAG Pipeline:

1. RAG for 5-10 related papers for target material
2. PDF to .txt conversion
3. Extract each .txt into schema
4. Summarise all methods into one output for user.

Stage 2:

Input: Target material, desired method

Output: Method with parameter suggestions

RAG Pipeline:

1. RAG for 5-10 related papers for target material, specifically for desired method
2. For each step:
   • Extract parameters from each paper into schema
   • Compare adv/dis for each parameter permutation

Future directions

We can generate a huge dataset with our schema. Mask schema for use in pre-training LLM. To enable suggesting novel methods for novel materials.

Readings

Method

1. We generate a schema which includes all necessary keywords to describe material synthesis.
2. Use the schema in our RAG workflow.

Results

Discussion

Conclusion