Xiangyu Yin
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Building an MCP Server for the Materials Project
In this blog post, I will demonstrate how to build a
Model Context Protocol
(MCP) server that connects to the Materials Project (MP) database. MCP is a standard for bridging…
Building an AI-Driven Scientific Workflow & Chatbot with Nodeology
Nodeology is a new AI workflow-building library designed to simplify the creation of robust state machine workflows through an intuitive, user-friendly interface. The…
“Deep Research” for Scientific Literature Review
Artificial intelligence (AI) is increasingly playing an integral role in helping researchers navigate the ever-expanding scientific literature. Innovations in natural…
Identifying Local Doping Patterns Around Atomic Sites
Dopants and point defects play a pivotal role in tailoring material properties—from enhancing catalytic activity in metal oxides to shifting electronic bands in…
“Wave Tracker” for Pressure Swing Adsorption
Pressure Swing Adsorption (PSA) is a widely adopted process design for gas separation. A foundational analytical framework for PSA is the
equilibrium theory
, first…
Designing Materials with Cluster Expansion and MatOpt
Computational materials design requires balancing multiple competing interests such as accuracy, computational cost, interpretability, etc. One classical approach to trade…
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