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Updated: Jan 28, 2026

Gradient Echo Quantum Memory in Warm Atomic Vapor
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基底和激发状态梯度具有端到端可微分的半经验量子化学

Vishikh Athavale1, Maksim Kulichenko1, Nikita Fedik2

  • 1Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.

The Journal of chemical physics
|January 27, 2026
PubMed
概括

自动分化 (AD) 为半经验量子化学提供了一个准确而高效的替代分析梯度. 这种方法与人工智能工作流程和流行的软件包无集成,为分子动力学模拟提供实用解决方案.

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