Events
The Open Force Field Initiative organizes regular team meetings, webinars and workshops, both in person and virtual. See more information below about past and future events.
1st Open Force Field Workshop
The First Open Force Field Workshop was held in La Jolla, CA on January 7-8, 2019. The meeting was open to Consortium members and collaborators, and parts of the meeting were recorded for posting online. Watch the videos from this workshop on YouTube and access presentation slides on Zenodo.
Jan 7-8, 2019 | La Jolla, California
Please see the full program below:
Agenda
Comments and questions for discussion during the workshop are invited in the Slack channels indicated after each topic; e.g, #project-planning for "Roadmap overview".
Jan 7
Research topics: 45 min talk + 15 min discussion
| Time | Event | Speaker | Slack channel |
|---|---|---|---|
| 7.45 - 8.00 | Introduction [PDF] [Video] | Gilson | |
| — | — | — | — |
| 8.00 - 8.30 | Roadmap overview [DOI] [Video] | Shirts | #project-planning |
| 8.30 - 9.30 | Short-term parameter optimization strategy: ForceBalance [DOI] [Video] | Wang | #forcebalance |
| 9.30 - 10.00 | Coffee break | ||
| #random | |||
| 10.00 - 11.00 | Long-term parameter optimization strategy: Bayesian Fitting [DOI] [Video] | Chodera | #bayesian-inference |
| 11.00 - 12.00 | Chemical perception and SMIRNOFF typing [DOI] [Video] | Mobley/Bannan | #smirnoff |
| 12.00 - 1.00 | Torsion fitting and fragmentation [DOI] [Video] | Chodera/Wang | #torsions |
| 1.00 - 2.00 | Lunch (catered) | ||
| 2.00 - 2.30 | Group discussion to define ad hoc breakouts and breakout leaders/note-takers | ||
Proposed Breakout Session 1 : typing via chemical perception, torsion fitting
Proposed Breakout Session 2 : useful physical property data, parameter fitting ||
| Time | Event | Speaker | Slack channel |
|---|---|---|---|
| 2.30 - 3.00 | Breakout Session 1 | ||
| 3.00 - 3.30 | Coffee break | ||
| #random | |||
| 3.30 - 4.00 | Breakout Session 2 | ||
| 4.00 - 5.00 | Reconvene for breakout reports and all-hands discussions | ||
Breakout session notes: Benchmarking Accuracy [PDF] |
Breakout session notes: Property calculation framework [PDF] |
Breakout session notes: Use cases [PDF] |
| Time | Event | Speaker | Slack channel |
|---|---|---|---|
| 5.00 - 5.15 | Roadmap recap and discussion (reviewing Slack input from remote attendees) | ||
| #project-planning | |||
| 6.00 | Group dinner in La Jolla at Rock Bottom Brewing | ||
Jan 8
Research topics 45 min talk + 15 min discussion
| Time | Event | Speaker | Slack channel |
|---|---|---|---|
| 8.00 - 9.00 | Charge models [DOI] [Video] | Schauperl | #charge-models |
| — | — | — | — |
| 9.00 - 10.00 | Fitting non-torsion valence terms [DOI] [Video] | Mobley/Wang | #valence |
| 10.00 - 10.30 | Coffee break | ||
| #random | |||
| 10.30 - 11.30 | Software architecture and infrastructure [DOI] [Video] | Wagner | #infrastructure |
| 11.30 - 12.30 | Fitting condensed-phase properties [DOI] [Video] | Chodera/Shirts | #propertycalculator |
| 12.30 - 1.30 | Lunch (catered) | ||
| 1.30 - 2.00 | Group discussion to define ad hoc breakouts and breakout leaders/note-takers | ||
Proposed Breakout Sessions: electrostatics, software preview / toolkit hands-on ||
| Time | Event | Speaker | Slack channel |
|---|---|---|---|
| 2.00 - 4.00 | Breakout Session (with coffee) | ||
| 4.00 - 5.00 | Reconvene and wrap-up discussion | ||
Breakout session notes: neural network potentials [PDF] |
Webinars
OpenFF held a series of webinars in 2019
2019 | OpenFF Webinar series
Watch all currently available webinars on our YouTube channel. You can access slides on Zenodo. Please use the assigned DOI and associated publications if you plan on using provided materials in your work.