Miko M Stulajter1,2, Dmitrij Rappoport1

  • 1Department of Chemistry, University of California Irvine, Irvine, California 92697, United States.

概括

复杂的化学反应建模通过将潜在能量表面 (PES) 表示为低维网络来简化. 这种以10的倍数减少的维度,揭示了用于高效的计算探索的底层格子结构.

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