SimMOF: AI agent for Automated MOF Simulations

arXiv:2604.21937v1 Announce Type: new Abstract: Computational drug discovery, particularly the complex workflows of drug molecule screening and optimization, requires

arXiv:2603.03686v2 Announce Type: replace Abstract: Automated design of chemical formulations is a cornerstone of materials science, yet it requires navigating a high-dimensional

arXiv:2604.08590v1 Announce Type: cross Abstract: We present AlphaLab, an autonomous research harness that leverages frontier LLM agentic capabilities to automate the full

arXiv:2605.13848v1 Announce Type: new Abstract: Agentic LLM frameworks that rely on prompted orchestration, where the model itself determines workflow transitions, often suffer

arXiv:2603.18256v1 Announce Type: cross Abstract: Recent advances in reasoning-based large language models (LLMs) have demonstrated substantial improvements in complex

arXiv:2604.22748v1 Announce Type: new Abstract: As AI systems move from generating text to accomplishing goals through sustained interaction, the ability to model environment

arXiv:2605.06702v1 Announce Type: new Abstract: Large language models (LLMs) have become a central foundation of modern artificial intelligence, yet their lifecycle remains

arXiv:2604.09251v1 Announce Type: new Abstract: Deep research agents increasingly interleave web browsing with multi-step computation, yet existing benchmarks evaluate these