2 papers
cond-mat.soft2025
General Purpose Inverse Design of Heterogeneous Finite-Sized Assemblies
Livia A. J. Guttieres, Ryan K. Krueger, Remi Drolet +1
Designing heterogeneous, self-assembling systems is a central challenge in soft matter and biology. We present a framework that uses gradient-based optimization to invert an analyt…
physics.bio-ph2025
Fitting Coarse-Grained Models to Macroscopic Experimental Data via Automatic Differentiation
Ryan K. Krueger, Megan C. Engel, Ryan Hausen +1
Developing physics-based models for molecular simulation requires fitting many unknown parameters to diverse experimental datasets. Traditionally, this process is piecemeal and dif…