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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

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

Vasyl V. Mykuliak, Vesa P. Hytönen2024

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

Marko Melander2024

Snapshots from irradiation simulations of tungsten, containing deuterium

Victor Lindblad2024

Thermal disorder prevents the suppression of ultra-fast photochemistry in the strong light-matter coupling regime

Luis Duarte, Hassan A. Qureshi, Arpan Dutta, J. Jussi Toppari, Nemanja Markesevic, Ville Tiainen, Dmitry Morozov, Gerrit Groenhof, Ilia Sokolovskii2024

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

Electronic Effects in Radiation-Induced Collision Cascades in Nickel - Resulting Atomistic Structures

Andrea E. Sand, Glen P. Kiely2024