Modeling soft core-shell colloids using stochastic hard collision dynamics

Electron hopping heat transport in molecules

“…This physical picture relies on strong assumptions, and recent work that goes beyond this picture to include nonequilibrium effects in the solvent have been developed. 49,50,70,71 Extensions of those theories to include the role that soft and complex fluids [72][73][74][75][76] play in electron transfer reactions may elucidate how structural solvent effects, such as caging in soft matter fluids, affects thermal transport in molecules. Work in this direction may lead to enhanced understanding of how tuning the electronic and structural properties of a solvent environment can enhance or suppress thermal transport in junctions for specific technological applications.…”

Solvation of Nanoscale Materials

“…On the other hand, soft-shell particles, such as oil droplets, metal nanoparticles coated with a polymer layer, proteins clusters, and even living cells, 27 present complications to DLVO theory as solvent intercalation, ion adsorption, 28 spontaneously ordered solvation shells , and surface roughness, 17 together comprising so-called "non-DLVO forces". Experimental attempts to bridge these two types of systems, such as core-shell colloids with soft exteriors and hard interiors, 23,29 impart improved thermodynamic stability and, in some cases, unique optical behavior. 30,31 Theoretical models of such systems account only for the hard-soft interface, while neglecting the possibility of low density and heterogeneous surfaces and their associated energetics.…”

A Cuban Campesino in Chemistry’s Academic Court

“…I was also fully aware that I would now be among the few URPOC chaired professors in chemistry, and that this would be one more step toward shifting representation toward equity. I rallied my research group to join me in the move and to explore truly multidisciplinary and collaborative chemistry. , The move helped me to concentrate our research into several disparate lines of research: transition state theory in driven systems, − adaptive steered molecular dynamics, − nonequilibrium Chem-DiCE, , and the multiscale dynamics of nanoparticles in heterogeneous systems. ,− That is, thinking differently does not have to come at the expense of order and clarity within each research silo. Students considering their entry into our profession do not always have to make the same choices, but they should feel comfortable in the fact that their academic careers can reach across their varied interests.…”

“…I rallied my research group to join me in the move and to explore truly multidisciplinary and collaborative chemistry. 60,61 The move helped me to concentrate our research into several disparate lines of research: transition state theory in driven systems, 62−64 adaptive steered molecular dynamics, 65−67 nonequilibrium Chem-DiCE, 4,68 and the multiscale dynamics of nanoparticles in heterogeneous systems. 5,69−72 That is, thinking differently does not have to come at the expense of order and clarity within each research silo.…”

“…A selected snapshot of Hernandez’s research efforts shown (clockwise from top left) through journal covers spanning across transition state theory (reprinted with permission from ref , copyright 2010 Elsevier), Janus and striped particles (reprinted with permission from ref , copyright 2014 AIP Publishing), diffusion through complex environments (reprinted with permission from ref , copyright 2010 American Chemical Society), stochastic hard collisions (reprinted with permission from ref , copyright 2018 Elsevier), sustainable nanoparticles (reprinted with permission from ref , copyright 2016 American Chemical Society), and diversity equity (reprinted with permission from ref , copyright 2018 American Chemical Society).…”