Dataset - B2FIND

Pure Magnesium DFT calculations for interatomic potential fitting

This dataset provides DFT (density functional theory as implemented in VASP, Vienna Ab Initio Simulation Package) calculations for pure Magnesium. It was designed by Binglun...
Pure Magnesium DFT calculations for interatomic potential fitting

This dataset provides DFT (density functional theory as implemented in VASP, Vienna Ab Initio Simulation Package) calculations for pure Magnesium. It was designed by Binglun...
Numerical study of neutral and charged microgel suspensions: from single-part...

We perform extensive molecular dynamics simulations of an ensemble of realistic microgel particles in swollen conditions in a wide range of packing fractions ζ. We compare...
Dataset of 2D effective elasticity tensor from discrete simulations of quasi-...

This dataset contains 76,356 effective elasticity tensors describing the degradation of quasi-brittle materials. The elasticity tensors are gathered from discrete...

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4 datasets found