195 citations · 266 across the 9 of their papers we have counts for
9 papers
Mesoscale particle-based simulations of flow in expansion-contraction microchannels at low Reynolds number
Tzortzis Koulaxizis, Clara De La Torre Garcia, C. Levi Petix +2
We computationally study the flow of Newtonian fluids through sinusoidal expansion-contraction microchannels at low Reynolds number. We first use a perturbation method to analytica…
Simulating Curved Lipid Membranes Using Anchored Frozen Patches
James Tallman, Antonia Statt
Lipid bilayers often form high-curvature configurations due to self-assembly conditions or certain biological processes. However, particle-based simulations of lipid membranes are…
Molecular Dynamics Simulations of Anisotropic Particles Accelerated by Neural-Net Predicted Interactions
B. Rusen Argun, Yu Fu, Antonia Statt
Rigid bodies, made of smaller composite beads, are commonly used to simulate anisotropic particles with molecular dynamics or Monte Carlo methods. To accurately represent the parti…
Computational Study of Mechanochemical Activation in Nanostructured Triblock Copolymers
Zijian Huo, Stephen J. Skala, Lavinia Falck +2
Force-driven chemical reactions have emerged as an attractive platform for diverse applications in polymeric materials. However, the network topologies necessary for efficiently tr…
Model for disordered proteins with strongly sequence-dependent liquid phase behavior
Antonia Statt, Helena Casademunt, Clifford P. Brangwynne +1
Phase separation of intrinsically disordered proteins is important for the formation of membraneless organelles, or biomolecular condensates, which play key roles in the regulation…
Stability of force-driven shear flows in nonequilibrium molecular simulations with periodic boundaries
Michael P. Howard, Antonia Statt, Howard A. Stone +1
We analyze the hydrodynamic stability of force-driven parallel shear flows in nonequilibrium molecular simulations with three-dimensional periodic boundary conditions. We show that…
Quantized bounding volume hierarchies for neighbor search in molecular simulations on graphics processing units
Michael P. Howard, Antonia Statt, Felix Madutsa +2
We present an algorithm for neighbor search in molecular simulations on graphics processing units (GPUs) based on bounding volume hierarchies (BVHs). The BVH is compressed into a l…
Unexpected secondary flows in reverse nonequilibrium shear flow simulations
Antonia Statt, Michael P. Howard, Athanassios Z. Panagiotopoulos
We simulated two particle-based fluid models, namely multiparticle collision dynamics and dissipative particle dynamics, under shear using reverse nonequilibrium simulations (RNES)…
Influence of hydrodynamic interactions on stratification in drying mixtures
Antonia Statt, Michael P. Howard, Athanassios Z. Panagiotopoulos
Nonequilibrium molecular dynamics simulations are used to investigate the influence of hydrodynamic interactions on vertical segregation (stratification) in drying mixtures of long…