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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 5, 2025
Speed up Multi-Scale Force-Field Parameter Optimization by Substituting Molecular Dynamics Calculations with a Machine Learning Surrogate Model
Robin Strickstrock, Alexander Hagg, Dirk Reith, et al.
Journal of Molecular Graphics & Modelling
|
April 27, 2025
Fine-tuning property domain weighting factors and the objective function in force-field parameter optimization
Robin Strickstrock, Alexander Hagg, Marco Hülsmann, et al.
Journal of Chemical Information and Modeling
|
March 21, 2023
Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization
Max Müller, Alexander Hagg, Robin Strickstrock, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 5, 2025
Speed up Multi-Scale Force-Field Parameter Optimization by Substituting Molecular Dynamics Calculations with a Machine Learning Surrogate Model
Robin Strickstrock, Alexander Hagg, Dirk Reith, et al.
Journal of Molecular Graphics & Modelling
|
April 27, 2025
Fine-tuning property domain weighting factors and the objective function in force-field parameter optimization
Robin Strickstrock, Alexander Hagg, Marco Hülsmann, et al.
Journal of Chemical Information and Modeling
|
March 21, 2023
Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization
Max Müller, Alexander Hagg, Robin Strickstrock, et al.
Page
of 1