Page Comparison

Optimisation with / without $H_{vap}$ while including mixture data.

Binary Mixture Data Feasibility Study

Optimization against $V_{excess}(x) or $\rho(x)

Binary Mixture Data Feasibility Study

How much pure data do we need to include to get good parameterization/Can mixture data alone get energetics right?

Binary Mixture Data Feasibility Study

For mixture properties - does including aqueous mixture data in addition to non-aqueous mixture data improve the overall force field performance (i.e. should we only include non-aqueous data to avoid trying to correct for the water model?).

TIP3P vs TIP3P-FB

How affected are low-representation molecules by the amount of data?  Is there regularization that we need?

How reproducible are ForceBalance optimizations with physical properties as targets? If there is an effect, does this effect scale with the number of targets?