LAMMPS
PulseAugur coverage of LAMMPS — every cluster mentioning LAMMPS across labs, papers, and developer communities, ranked by signal.
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AI agents advance autonomous materials discovery with unified frameworks · 2 sources tracked
Researchers have developed new AI agent frameworks aimed at increasing autonomy in materials discovery. The MAPPS framework unifies planning, physics, and scientist feedback to automate workflow generation and execution…
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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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LLM-powered agent automates polymer property prediction
Researchers have developed PolyJarvis, an agent that uses a large language model (LLM) to automate all-atom molecular dynamics (MD) simulations for predicting polymer properties. This agent integrates with simulation to…
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AI coding assistants streamline scientific experiment reproduction on FABRIC testbed
Researchers have demonstrated how the FABRIC testbed, integrated with an AI coding assistant named LoomAI, can significantly simplify the process of reproducing scientific experiments. Three case studies across differen…
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Microsoft Research enhances AI for materials discovery with MatterSim
Microsoft Research has advanced its AI model for materials science, MatterSim, with experimental validation, faster simulation capabilities, and a new multi-task foundation model. The updated MatterSim-v1 now achieves 3…