日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions

将量子力学基准精度扩展到生物配体口袋相互作用

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-63587-9
Puleva, Mirela; Medrano Sandonas, Leonardo; Lőrincz, Balázs D; Charry, Jorge; Rogers, David M; Nagy, Péter R; Tkatchenko, Alexandre
发表日期：2025
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Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023

碰撞测试机器学习力场在分子、材料和界面中的应用：TEA 2023挑战赛中的分子动力学

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d4sc06530a
Poltavsky, Igor; Puleva, Mirela; Charkin-Gorbulin, Anton; Fonseca, Grégory; Batatia, Ilyes; Browning, Nicholas J; Chmiela, Stefan; Cui, Mengnan; Frank, J Thorben; Heinen, Stefan; Huang, Bing; Käser, Silvan; Kabylda, Adil; Khan, Danish; Müller, Carolin; Price, Alastair J A; Riedmiller, Kai; Töpfer, Kai; Ko, Tsz Wai; Meuwly, Markus; Rupp, Matthias; Csányi, Gábor; Anatole von Lilienfeld, O; Margraf, Johannes T; Müller, Klaus-Robert; Tkatchenko, Alexandre
发表日期：2025
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Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023

分子、材料和界面的碰撞测试机器学习力场：TEA Challenge 2023 中的模型分析

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d4sc06529h
Poltavsky, Igor; Charkin-Gorbulin, Anton; Puleva, Mirela; Fonseca, Grégory; Batatia, Ilyes; Browning, Nicholas J; Chmiela, Stefan; Cui, Mengnan; Frank, J Thorben; Heinen, Stefan; Huang, Bing; Käser, Silvan; Kabylda, Adil; Khan, Danish; Müller, Carolin; Price, Alastair J A; Riedmiller, Kai; Töpfer, Kai; Ko, Tsz Wai; Meuwly, Markus; Rupp, Matthias; Csányi, Gábor; von Lilienfeld, O Anatole; Margraf, Johannes T; Müller, Klaus-Robert; Tkatchenko, Alexandre
发表日期：2025
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