Related papers: Universal Framework for Decomposing Ionic Transpor…
Transport of ions and small molecules across the cell membrane against electrochemical gradients is catalyzed by integral membrane proteins that use a source of free energy to drive the energetically uphill flux of the transported…
We consider single-particle quantum transport on parametrized complex networks. Based on general arguments regarding the spectrum of the corresponding Hamiltonian, we derive bounds for a measure of the global transport efficiency defined by…
We investigate several transport coefficients across the phase diagram of a holographic Einstein-Maxwell-Dilaton (EMD) model of hot and dense QCD with $N_f=2+1$ flavors. Our results are obtained from an open-source implementation of this…
One of the fundamental steps toward understanding a complex system is identifying variation at the scale of the system's components that is most relevant to behavior on a macroscopic scale. Mutual information provides a natural means of…
In this work, we have proposed a data-driven screening framework combining the interpretable machine learning with high-throughput calculations to identify a series of metal oxides that exhibit both high-temperature tolerance and high power…
Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A…
An efficient computational methodology is used to explore charge transport properties in chemically-modified (and randomly disordered) graphene-based materials. The Hamiltonians of various complex forms of graphene are constructed using…
We present the state-of-the-art theoretical modeling, molecular simulation, and coarse-graining strategies for the transport of gases and liquids in nanoporous materials (pore size 1-100 nm). Special emphasis is placed on the transport of…
This study develops FusionTransNet, a framework designed for Origin-Destination (OD) flow predictions within smart and multimodal urban transportation systems. Urban transportation complexity arises from the spatiotemporal interactions…
The aim of the present contribution is to provide a framework for analyzing and visualizing the correlated many-electron dynamics of molecular systems, where an explicitly time-dependent electronic wave packet is represented as a linear…
Optimal transport has recently been brought forward as a tool for modeling and efficiently solving a variety of flow problems, such as origin-destination problems and multi-commodity flow problems. Although the framework has shown to be…
Multi-mode optical interferometers represent the most viable platforms for the successful implementation of several quantum information schemes that take advantage of optical processing. Examples range from quantum communication, sensing…
The main focus of this article is to obtain various transport coefficients for a hot QCD medium that is produced while colliding two heavy nuclei ultra-relativistically. As the hot QCD medium follows dissipative hydrodynamics while…
Understanding travel demand and behavior, particularly route and mode choices, is critical for effective transportation planning and policy design in multi-modal systems with emerging mobility options. Multi-modal system-level data, such as…
Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batteries with liquid electrolytes. Conventional computational…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This "Landauer-B\"uttiker's probe technique" can properly…
Superionic phase transitions have attracted extensive interest for decades due to their promising applications and rich underlying physics. In particular, complicated many-body effects and nonadiabatic dynamics are believed to play…
A many-body theory of paramagnetic Kondo insulators is described, focusing specifically on single-particle dynamics, scattering rates, d.c. transport and optical conductivities. This is achieved by development of a non-perturbative local…
Impressive advances in the field of molecular spintronics allow one to study electron transport through individual magnetic molecules embedded between metallic leads in the purely quantum regime of single electron tunneling. Besides…