RGB Lab @ MIT @rgblabmit.bsky.social · 25/02/2025We also find that previously-parameterized classical potentials model two separate anion polarization states that drastically influence resulting lithium solvation and transference. 000
RGB Lab @ MIT @rgblabmit.bsky.social · 25/02/2025We introduce a low-data ML framework to predict classical interatomic potentials, showing strong agreement with experimental findings and DFT polymer backbone energy barriers. We use orders of magnitude less DFT training. All thanks to chemistry-informed symmetry and charge regularization terms. 100