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Phoretic colloids self-propel thanks to surface flows generated in response to surface gradients (thermal, electrical, or chemical), that are self-induced and/or generated by other particles. Here we present a scalable and versatile…
Theoretical analysis and fully atomistic molecular dynamics simulations reveal a Brownian ratchet mechanism by which thermal fluctuations drive the net displacement of immiscible liquids confined in channels or pores with micro- or…
Liquid transport in microchip-based systems is important in many areas such as Laboratory-on-a-chip, Microfluidics and Optofluidics. Actuation of liquids in such systems is usually achieved using either mechanical displacement11 or via…
We use molecules to couple light into and out of microscale plasmonic waveguides. Energy transfer, mediated by surface plasmons, from donor molecules to acceptor molecules over ten micrometer distances is demonstrated. Also surface plasmon…
This chapter discusses a hydrodynamics-inspired approach to trap and manipulate light in plasmonic nanostructures, which is based on steering optical powerflow around nano-obstacles. New insights into plasmonic nanofocusing mechanisms are…
Using Monte Carlo electronic transport simulations, coupled self-consistently with the Poisson equation for electrostatics, we explore the thermoelectric power factor of nanoengineered materials. These materials consist of alternating…
We investigate the dynamics of nanoparticles in semidilute polymer solutions when the nanoparticles are comparably sized to the polymer coils using explicit- and implicit-solvent simulation methods. The nanoparticle dynamics are…
We show that the dynamics of the surface plasmon in metallic nanoparticles damped by its interaction with particle-hole excitations can be modelled by a single degree of freedom coupled to an environment. In this approach, the fast decrease…
Current models of phoretic transport rely on molecular forces creating a "diffuse" particle-fluid interface. We investigate theoretically an alternative mechanism, in which a diffuse interface emerges solely due to a non-vanishing…
Self-heating effects can significantly degrade the performance in nanoscale devices. We investigate self-heating effects in such devices based on two-dimensional materials using ab-initio techniques. A new algorithm was developed to allow…
Single molecule microscopy has proven to be an effective tool to characterize the fluorophore-plasmonic structure interaction. However, as specific information is hidden in the emission, sophisticated evaluation is required. Here we…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
A mechanism for self propulsion of deformable vesicle has been proposed, vesicle moves by sensing the self-generated chemical gradient. Like many molecular motors they suffer strong perturbations from the environment in which they move as a…
Artificial microswimmers are a new technology with promising microfluidics and biomedical applications, such as directed cargo transport, microscale assembly, and targeted drug delivery. A fundamental barrier to realising this potential is…
We investigate phonon thermal transport of fullerene-based single-molecule junctions by employing classical molecular dynamics simulations. The thermal conductances of fullerene monomers, dimers, and trimers are computed through three…
Thermal relaxation of nanoscale magnetic islands, mimicking Ising macrospins, is indispensable for studies of geometrically frustrated artificial spin systems and low-energy nanomagnetic computation. Currently-used heating schemes based on…
Highly aligned nanowire networks are essential for enabling anisotropic optical, electrical, and sensing functionalities in next-generation devices. However, achieving such alignment typically requires complex fabrication methods or…
Several enzymes exhibit enhanced diffusion in the presence of a substrate. One explanation of this enhancement arises from fluctuating dimer models, which suggest that enzymes have a higher diffusion constant when interacting with…
One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecular architecture behind these fascinating structures and how…
Active media, whose constituents are able to move autonomously, display novel features that differ from those of equilibrium systems. In addition to naturally-occurring active systems such as populations of swimming bacteria, active systems…