58 citations · 274 across the 13 of their papers we have counts for
13 papers
Bottom-up construction of dynamic density functional theories for inhomogeneous polymer systems from microscopic simulations
Sriteja Mantha, Shuanhu Qi, Friederike Schmid
We propose and compare different strategies to construct dynamic density functional theories (DDFTs) for inhomogeneous polymer systems close to equilibrium from microscopic simulat…
How ill-defined constituents produce well-defined nanoparticles: Effect of polymer dispersity on the uniformity of copolymeric micelles
Sriteja Mantha, Shuanhu Qi, Matthias Barz +1
We investigate the effect of polymer length dispersity on the properties of self-assembled micelles in solution by self-consistent field calculations. Polydispersity stabilizes mic…
Anomalous Critical Slowdown at a First Order Phase Transition in Single Polymer Chains
Shuangshuang Zhang, Shuanhu Qi, Leonid I. Klushin +3
Using Brownian Dynamics, we study the dynamical behavior of a polymer grafted onto an adhesive surface close to the mechanically induced adsorption-stretching transition. Even thou…
Phase transitions in single macromolecules: loop-stretch transition versus loop adsorption transition in end-grafted polymer chains
Shuangshuang Zhang, Shuanhu Qi, Leonid I. Klushin +3
We use Brownian dynamics simulations and analytical theory to compare two prominent types of single molecule transitions. One is the adsorption transition of a loop (a chain with t…
Hybrid Particle-Continuum Simulations Coupling Brownian Dynamics and Local Dynamic Density Functional Theory
Shuanhu Qi, Friederike Schmid
We present a multiscale hybrid particle-field scheme for the simulation of relaxation and diffusion behavior of soft condensed matter systems. It combines particle-based Brownian d…
Dynamic density functional theories for inhomogeneous polymer systems compared to Brownian dynamics simulations
Shuanhu Qi, Friederike Schmid
Dynamic density functionals (DDFs) are popular tools for studying the dynamical evolution of inhomogeneous polymer systems. Here, we present a systematic evaluation of a set of dif…