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Primary damage and electronic effects in Si with machine learning-driven molecular dynamics - Atomic structure of final defects

Ali Hamedani2025

Primary damage and electronic effects in Si with machine learning-driven molecular dynamics - Atomic structure of final defects

Ali Hamedani2025

Dataset: NMR chemical shift of confined 129Xe: coordination number, paramagnetic channels and molecular dynamics in a cryptophane-A biosensor

Perttu Hilla2025

Data for "Block ratio optimized cationic polyacrylamides for enhanced nitrate rejection under applied potential"

Arsalan Hashemi, Hossein Vahid2025

Antibacterial and physicomechanical properties of cellulosic nonwovens functionalized with chitosan: a study on interaction effects of influencing factors and assessment methods

Ali Amin Tarhini, Ali Tehrani, Esubalew Kasaw Gebeyehu, Jenni Tienaho, Rekha Shrestha, Tonmoy Saha, Ulla Jauhiainen2025

Dataset for Metal-Water Interface Formation: Thermodynamics from Ab-Initio Molecular Dynamics Simulations

Marko Melander2024

Molecular dynamics simulations reveal how vinculin refolds partially unfolded talin rod helices to stabilize them against mechanical force

Vasyl V. Mykuliak, Vesa P. Hytönen2024

Design and assembly of core/shell nanostructures as investigated by microfluidics and molecular dynamics simulation_dataset_DLS_TEM_MD

Jiaqi Yan, Markus Peurla, Wali Inam, Hongbo Zhang, Jessica Rosenholm, Outi Salo-Ahen, Rajendra Bhadane2024

Data for "Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics"

Miguel Caro Bayo, Ping Qian, Tapio Ala-Nissila, Yanzhou Wang, Zheyong Fan2024

Data for "Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics"

Miguel Caro Bayo, Ping Qian, Tapio Ala-Nissila, Yanzhou Wang, Zheyong Fan2024