3 papers
cond-mat.stat-mech2026
Optimal Intermediate Hamiltonians for Non-Equilibrium Free Energy Calculations: A Numerical Study of Markov Models
David Beyer, Helmut Grubmüller
The Jarzynski relation enables the estimation of equilibrium free energy differences from non-equilibrium, finite-time switching simulations. These estimates usually converge poorl…
cond-mat.soft2026
How Topology Shapes the Phase Behavior of Polyelectrolytes
David Beyer, Pierre J. Walker, Lena Tarrach +2
We develop a topology-specific theory of polyelectrolyte coacervation using the random phase approximation and apply it to both simple and complex coacervation. Our results for sta…
cond-mat.soft2024
CO2-induced Drastic Decharging of Dielectric Surfaces in Aqueous Suspensions
Peter Vogel, David Beyer, Christian Holm +1
We study the influence of airborne CO2 on the charge state of carboxylate stabilized polymer latex particles suspended in aqueous electrolytes. We combine conductometric experiment…