activity
20192025
most citedAdversarial-Residual-Coarse-Graining: Applying machine learning theory to systematic molecular coarse-graining

54 citations · 70 across the 7 of their papers we have counts for

collaborators
Showing 2022Show all

1 paper · 1 filter

physics.chem-ph2022★ 1 cited

Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models Through Virtual Particles

Patrick G. Sahrmann, Timothy D. Loose, Aleksander E. P. Durumeric +1

Coarse-grained (CG) models parameterized using atomistic reference data, i.e., 'bottom up' CG models, have proven useful in the study of biomolecules and other soft matter. However…