The FoF (Filet-O-Fish) Turning Point to OpenFF (Open Force Field)

Listen to the next episode of our podcast, Under the Surface. In episode 18, The FoF (Filet-O-Fish) Turning Point to OpenFF (Open Force Field), we chat with @Lily Wang, Science Lead at the Open Force Field Initiative (@OpenFF), about the unexpected, very human moment that set her on the path to computational chemistry — a cold Filet‑O‑Fish eaten at 1 a.m. after a disastrous night in the lab.

Lily shares that she first wanted to study art. Still, a close friend's lupus diagnosis inspired her to choose science instead, leading to advancements in molecular simulation and force fields that benefit computational chemistry research.

We also cover recent advances in molecular modeling, such as neural-network-based charge models and improved protein force fields, to excite researchers about future innovations.

Topics:

Lily's path from the arts to computational chemistry

What OpenFF and OMSF actually do

Building more advanced force fields

Sage 2.3 and neural‑network charge models

Expanding force fields for proteins and nucleic acids

Funding open science and partnering with industry

Listener discretion is advised.

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