/
2023-03-29 Meeting notes

2023-03-29 Meeting notes

Owned by Joshua Horton, created
Last updated: Mar 29, 2023 by Daniel Cole
1 min read

 Date

Mar 29, 2023

 Participants

  • @Joshua Horton

  • @Daniel Cole

  • @David Mobley

  • @Lily Wang

  • @Pavan Behara

  • @Chapin Cavender

  • @Tobias Huefner

  • @Matt Thompson

  • Hari Muddana

 Goals

  •  

 Discussion topics

Time

Item

Presenter

Notes

Time

Item

Presenter

Notes

 

Crystals

Hari

 

  • IEFF (Intermolecular Force Field)

    • No valence terms, only multipoles (up to quadropoles), exponential repulsion, dispersion for intermolecular

    • MMFF for intramolecular









 Action items

 Decisions