官方服务：
资源简介：
Continued fromTable 1.: Dimensionless values were marked in *.
应用场景：
创建时间：
2021-02-17
相关数据集
Efficient Automatized Density-Functional Tight-Binding Parametrizations: Application to Group IV Elements
Density-functional tight-binding methods stand out as a very good compromise between accuracy and computational efficiency. These methods rely on parameter sets that have to be determined and tabulate
NIAID Data Ecosystem120
Supplemental Materails: A mechanically-coupled reaction diffusion model that incorporates intra-tumoral heterogeneity to predict in vivo glioma growth
This is Matlab code and data that reproduces panels from figures 3-8 in the Journal of the Royal Society Interface submission A mechanically-coupled reaction diffusion model that incorprates intra-
Figshare2019-01-30 更新70
Best-fit parameters.
Parameter values which minimize the least square error, i.e. the sum of the squares residuals, are reported. Each row corresponds to a specific initial condition and cells proportions experiment. Colu
NIAID Data Ecosystem60
Method Calibration or Data Fitting?
We investigate by explicit parameter optimization to what extent basis sets of polarized double-ζ quality can introduce compensating errors in five different density functional methods. It is shown th
NIAID Data Ecosystem80
Stacked Ensemble Machine Learning for Range-Separation Parameters
Density functional theory-based high-throughput materials and drug discovery has achieved tremendous success in recent decades, but its power on organic semiconducting molecules suffered catastrophica
NIAID Data Ecosystem70
