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Bibliographic Details
Main Authors: Zeng, Lianduan, Zhou, Xiao, Zheng, Xueru, Gao, Ning, Liu, Lei, Cao, Yunxuan, Chen, Hongjian, Wang, Zhongyang, Fan, Tongxiang
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2604.06076
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Table of Contents:
  • With the advancement of the Materials Genome Initiative, high-throughput computation has become central to accelerating materials discovery. However, conventional first-principles workflows are cumbersome and error-prone. Existing high-throughput tools, while efficient at batch job submission, lack intelligence: they cannot automatically plan tasks based on scientific objectives or dynamically adapt workflows according to intermediate results. To address these limitations, this paper proposes and implements HTC-Claw, an intelligent high-throughput computational platform built upon the OpenClaw framework. The key innovations of HTC-Claw are: 1) An agent-based framework for automatic decomposition of high-level research goals into parallelizable task sets; 2) A closed-loop execution engine that integrates real-time analysis and reporting; 3) Adaptive decision-making and workflow iteration capabilities based on intermediate results; and 4) A decoupled, modular architecture that separates the scheduling system from functional modules, enhancing extensibility and robustness. Case studies demonstrate that HTC-Claw enables an intelligent, end-to-end workflow from user intent to final reporting in materials exploration