381 citations · 2k across the 40 of their papers we have counts for
41 papers
Extending the mean first-passage-time formalism to the reconstruction of high free-energy barriers: A top-start approach
Ying Jiang, Ivan Saika-Voivod
Rare events, such as crystal nucleation in mildly supercooled liquids, are characterized by waiting times that can be much longer than the timescale of the underlying microscopic d…
Probing the Viscoelastic Properties of Aqueous Protein Solutions using Molecular Dynamics Simulations
Dillon F. Hanlon, Ivan Saika-Voivod, M. Shajahan G. Razul +1
We performed molecular dynamics simulations to investigate the viscoelastic properties of aqueous protein solutions containing an antifreeze protein, a toxin protein, and bovine se…
Micromagnetic simulations of clusters of nanoparticles with internal structure: Application to magnetic hyperthermia
Razyeh Behbahani, Martin L. Plumer, Ivan Saika-Voivod
Micromagnetic simulation results on dynamic hysteresis loops of clusters of iron oxide nanoparticles (NPs) with internal structure composed of nanorods are compared with the widely…
Low density interior in supercooled aqueous nanodroplets expels ions to the subsurface
Shahrazad M. A. Malek, Victor Kwan, Ivan Saika-Voivod +1
The interaction between water and ions within droplets plays a key role in the chemical reactivity of atmospheric and man-made aerosols. Here we report direct computational evidenc…
Free energy surface of two-step nucleation
Dean Eaton, Ivan Saika-Voivod, Richard K. Bowles +1
We test the theoretical free energy surface (FES) for two-step nucleation (TSN) proposed by Iwamatsu [J. Chem. Phys. 134, 164508 (2011)] by comparing the predictions of the theory…
Multiscale modelling of magnetostatic effects on magnetic nanoparticles with application to hyperthermia
Razyeh Behbahani, Martin L. Plumer, Ivan Saika-Voivod
We extend a renormalization group-based course-graining method for micromagnetic simulations to include properly scaled magnetostatic interactions. We apply the method in simulatio…