ChatMOSP is an AI agent that maps natural-language descriptions of catalyst environments to validated multiscale simulations of working-state nanoparticle morphology and activity.
Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills
2 Pith papers cite this work. Polarity classification is still indexing.
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Pith papers citing it
abstract
This work presents a decoupled framework for multi-step computational chemistry automation built on OpenClaw. OpenClaw serves as the general-purpose agent for task coordination and supervision. Planning skills externalize task descriptions into executable task specifications, domain skills provide computational chemistry procedures, and the DPDispatcher skill grounds computation in heterogeneous HPC environments. In a methane-oxidation reactive MD case study, the framework coordinated cross-tool execution, supported bounded recovery from runtime failures, and extracted reaction networks.
fields
cond-mat.mtrl-sci 2years
2026 2verdicts
UNVERDICTED 2representative citing papers
HTC-Claw is a new intelligent high-throughput computing platform that decomposes research goals into adaptive task workflows for automated materials discovery.
citing papers explorer
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ChatMOSP: A Chemistry-Grounded Mobile Agent for Working-State Catalyst Simulations
ChatMOSP is an AI agent that maps natural-language descriptions of catalyst environments to validated multiscale simulations of working-state nanoparticle morphology and activity.
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The HTC-Claw: Automating Discovery through High-Throughput Computational Campaigns
HTC-Claw is a new intelligent high-throughput computing platform that decomposes research goals into adaptive task workflows for automated materials discovery.