Modeling Uncertainty

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Contents

Uncertainty

This topic has been taken by Student 1 for 2017 Contribution

Objective

This page will provide information on how to model uncertainty using the MEAM parameter calibration (MPC) tool and Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS).

Step 1

Calibrate your MEAM potential with respect to Density Functional Theory. This requires the use of elastic constants from experiments or literature to calibrate your material to DFT.

Step 2

References

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