Related papers: Molecular Traffic Control in Porous Nanoparticles
Enzymatic molecules that actively support many cellular processes, including transport, cell division and cell motility, are known as motor proteins or molecular motors. Experimental studies indicate that they interact with each other and…
Advanced integration of logistics systems has been promoted for the sake of competitiveness and sustainability. Such efforts will enable more globally optimal and flexible operations by efficiently utilizing transportation capacity. At the…
Transport of solid particles in blood flow exhibits qualitative differences in the transport mechanism when the particle varies from nanoscale to microscale size comparable to the red blood cell (RBC). The effect of microscale particle…
We present deterministic algorithms for the simultaneous control of an arbitrary number of quantum observables. Unlike optimal control approaches based on cost function optimization, quantum multiobservable tracking control (MOTC) is…
Due to its non-crystalline nature, the glassy state has remained one the most exciting scientific challenges. To study such materials, Molecular Dynamics (MD) simulations have been extensively used because they provide a direct view into…
Computer modeling of multicellular systems has been a valuable tool for interpreting and guiding in vitro experiments relevant to embryonic morphogenesis, tumor growth, angiogenesis and, lately, structure formation following the printing of…
By monitoring the sampling of states with different magnetizations in transition matrix procedures a family of accurate and easily implemented techniques are constructed that automatically control the variation of the temperature or energy…
The motion of contaminant particles through complex environments such as fractured rocks or porous sediments is often characterized by anomalous diffusion: the spread of the transported quantity is found to grow sublinearly in time due to…
Nanocrystalline metals contain a large fraction of high-energy grain boundaries, which may be considered as glassy phases. Consequently, with decreasing grain size, a crossover in the deformation behaviour of nanocrystals to that of…
Movements of molecular motors on cytoskeletal filaments are described by directed walks on a line. Detachment from this line is allowed to occur with a small probability. Motion in the surrounding fluid is described by symmetric random…
Tunable nanopores in elastomeric membranes have been used to study the dependence of ionic current blockade rate on the concentration and electrophoretic mobility of particles in aqueous suspensions. A range of nanoparticle sizes, materials…
The role of geometrical micro-barriers on the conversion efficiency of reactive flows in narrow three-dimensional channels of millimetric size is investigated. Using a Lattice-Boltzmann-Lax-Wendroff code, we show that micro-barriers have an…
The dynamical control of tunneling processes of single particles plays a major role in science ranging from Shapiro steps in Josephson junctions to the control of chemical reactions via light in molecules. Here we show how such control can…
Most cells possess the capacity to locomote. Alone or collectively, this allows them to adapt, to rearrange, and to explore their surroundings. The biophysical characterization of such motile processes, in health and disease, has so far…
Path marginal cost (PMC) is a crucial component in solving path-based system-optimal dynamic traffic assignment (SO-DTA), dynamic origin-destination demand estimation (DODE), and network resilience analysis. However, accurately evaluating…
We present a hybrid method for time-dependent particle transport that combines Monte Carlo (MC) estimation with a deterministic discrete ordinates (\(S_N\)) solve, augmented by quasi-Monte Carlo (QMC) sampling. For spatial discretizations,…
Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density Functional Theory approaches to identify different collective…
On-demand control of molecular actions is essential for realizing single-molecule functional devices. Such a control can be achieved by manipulating interactions between individual molecules and their nanoscale environment. In this study,…
Finding optimal reaction coordinates and predicting accurate kinetic rates for activated processes are two of the foremost challenges of molecular simulations. We introduce an algorithm that tackles the two problems at once: starting from a…
Motion of active particles, such as catalytic micro- and nano-motors, is usually characterized via either dynamic light scattering or optical microscopy. In both cases, speed of particles is obtained from the calculus of the mean square…