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Updated: Sep 10, 2025

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効率的な予測のための原子表現の拡張により,等価ネットワークに仮想ポイントを導入する

Bumju Kwak1, Jeonghee Jo2

  • 1Independent researcher, Seoul 06611, Republic of Korea.

Journal of chemical theory and computation
|August 25, 2025
PubMed
まとめ

ニューラル・ポラライゼーション (NP) は,電子密度などのタスクの予測を向上させ,仮想ポイントで原子を表現することによって分子モデリングを強化します. この新しいアプローチは,よりよい分子理解のために既存の等価ネットワークを拡張します.

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