解锁机器学习原子间潜力的 Tensor 核心性能

原子模拟帮助研究者理解分子和材料是如何表现的，从化学反应和相位过渡到机械故障。 这些模拟具有成本准确性的权衡。 密度函数理论(DFT)等量子-机械方法可以提供准确的能量和力，但其计算成本往往限制其对大系统或长的运用。

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Atomistic simulations help researchers understand how molecules and materials behave, from chemical reactions and phase transitions to mechanical failure. These simulations come with a cost-accuracy trade-off. Quantum-mechanical methods such as density functional theory (DFT) can provide accurate energies and forces, but their computational cost often limits their use for large systems or long…

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