VASP
PulseAugur coverage of VASP — every cluster mentioning VASP across labs, papers, and developer communities, ranked by signal.
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Microsoft Research enhances Skala deep-learning DFT with improved accuracy and broader access
Microsoft Research has released Skala 1.1, an updated version of its deep-learning density functional theory (DFT) approach. This new version is trained on 2.5 times more data than its predecessor, leading to significan…
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New agent system automates complex atomistic simulations
Researchers have developed an agent-based system, integrated into the URSA framework, designed to automate complex, multi-step atomistic simulations. This system can autonomously select interatomic potentials, construct…
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EndoCoT framework enhances diffusion models' reasoning with MLLMs
Researchers have introduced EndoCoT, a new framework designed to enhance the reasoning capabilities of diffusion models when integrated with Multimodal Large Language Models (MLLMs). The framework addresses limitations …
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AdsMind system uses AI agents to accelerate catalyst discovery
Researchers have developed AdsMind, a novel multi-agent system designed to accelerate the discovery of adsorption configurations on heterogeneous catalyst surfaces. This closed-loop framework integrates machine learning…