Author

W. Noid

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Preprint Sep 2026

Relating solute interactions to interfacial properties

Liquid interfaces are both ubiquitous and also critically important for many commercial products, modern technologies, biological processes, and environmental phenomena. The properties of these interfaces can depend quite sensitively upon the composition of the bulk liquid phase. In this work, we develop a dilute solut...

V. Mandalaparthy, Ben Curlee, W. Noid · 0 citations

#machine learning May 2026

Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics

This work introduces a framework that augments force matching with stochastic Hessian-vector product (HVP) matching, instilling second-order curvature information into CG potentials without constructing the full Hessian.

S. Murdeshwar, Sanjit Shashi, Kevin Bachelor et al. · arXiv.org · 0 citations