AtomWorld enables the first direct atomistic simulation of RPV steel at year-and-meter scales, handling ten-quintillion-atom systems and simulating one service year in 1.71 days with 92-97% scaling efficiency on leadership supercomputers.
Scaling the leading accuracy of deep equivariant models to biomolecular simulations of realistic size
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SMC-AI scales Monte Carlo simulations to 4 trillion atoms on AI hardware clusters, achieving 32 times larger systems and 1.3 times higher throughput than prior records while decoupling ML models from the simulation core.
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Unfolding an Atomistic World: Atomistic Simulation of Reactor Pressure Vessel Steel Across Year-and-Meter Scales
AtomWorld enables the first direct atomistic simulation of RPV steel at year-and-meter scales, handling ten-quintillion-atom systems and simulating one service year in 1.71 days with 92-97% scaling efficiency on leadership supercomputers.
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SMC-AI: Scaling Monte Carlo Simulation to Four Trillion Atoms with AI Accelerators
SMC-AI scales Monte Carlo simulations to 4 trillion atoms on AI hardware clusters, achieving 32 times larger systems and 1.3 times higher throughput than prior records while decoupling ML models from the simulation core.