activity
20172026
most citedMolecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats

19 citations · 19 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.soft2026

Phase Behavior of Unilamellar Hybrid Lipid-Diblock Copolymer Membranes

James F. Tallman, Junyu Wu, Antonia Statt

Hybrid lipid block copolymer membranes are promising for many applications in drug delivery, single molecule detection, in-membrane protein folding, and synthetic cells. However, r…

cond-mat.soft2026

Axial dispersion in dilute solutions of linear and branched polymers in parallel-plate and expansion-contraction microchannels

C. Levi Petix, Tzortzis Koulaxizis, Griffin D. Overton +2

The axial dispersion of polymers in microchannels depends on an interplay between microchannel geometry, polymer architecture, and hydrodynamics. Here, we investigate the axial dis…

cond-mat.soft2026

Effect of Pre-Shear and Dispersity on Crystallization of a Model Polymer with Soft Pair Interactions using Molecular Dynamics Simulations

Tzortzis Koulaxizis, Antonia Statt

Polymer crystallization is a process of great interest in both fundamental theory and industrial settings, particularly in polymer processing and applications involving semi-crysta…

cond-mat.soft2025

Machine-Learning Potentials for Efficient Simulations of Anisotropic Colloids

B. Rusen Argun, Antonia Statt

Simulating interactions between non-spherical colloidal particles is computationally challenging due to the complex dependency of forces and energies on their geometry. We introduc…

cond-mat.soft2017★ 19 cited

Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats

Stefanie Stalter, Leonid Yelash, Nehzat Emamy +4

Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft ma…