...
Item | Presenter | Notes | ||
|---|---|---|---|---|
Sage 2.1 performance on physical property benchmarks, and plans for a vdW re-fit | LW | Sage 2.2.1 valence re-fit and performance on quick QM benchmarks | LWNAGL small molecule lookup table implementation | |
Sage 2.1 performance on physical property benchmarks, and plans for a vdW re-fit | LW | |||
Additional molecules to get phosphate coverage in upcoming QM fit. | MRS/PF | (list of molecule to be submitted 7/2/2024 to be discussed, will post link here). | ||
Density and dHmix properties with dPol model and Sage 2.1 valence terms | WW | |||
NAGL small molecule lookup table implementation | LW |