المؤلفون: Saientan Bag (9153828), Manuel Konrad (10744544), Tobias Schlöder (1798510), Pascal Friederich (1753135), Wolfgang Wenzel (25116)

مصطلحات موضوعية: Biophysics, Cell Biology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, traditional force fields, quantum mechanical calculation, picoseconds simulation timescales, mean absolute error, jones type two, existing force fields, classical simulation methodologies, based force fields, art quantum mechanical, amino acid alanine, jones potentials used, different research areas, studying adsorption using, specific force field, final machine learning, body terms incorporating, 5 , adsorption energies adsorption, machine learning, widely used, surprisingly different, adsorption process, specific three

Relation: https://figshare.com/articles/journal_contribution/Fast_Generation_of_Machine_Learning-Based_Force_Fields_for_Adsorption_Energies/16776130

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00506.s001

المؤلفون: Saientan Bag (9153828), Manuel Konrad (10744544), Tobias Schlöder (1798510), Pascal Friederich (1753135), Wolfgang Wenzel (25116)

مصطلحات موضوعية: Biophysics, Cell Biology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, traditional force fields, quantum mechanical calculation, picoseconds simulation timescales, mean absolute error, jones type two, existing force fields, classical simulation methodologies, based force fields, art quantum mechanical, amino acid alanine, jones potentials used, different research areas, studying adsorption using, specific force field, final machine learning, body terms incorporating, 5 , adsorption energies adsorption, machine learning, widely used, surprisingly different, adsorption process, specific three

Relation: https://figshare.com/articles/dataset/Fast_Generation_of_Machine_Learning-Based_Force_Fields_for_Adsorption_Energies/16776133

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00506.s002