Related papers: Universal Free Energy Landscape Produces Efficient…
The equilibrium free energy landscape of off-lattice model heteropolymers as a function of an internal coordinate, namely the end-to-end distance, is reconstructed from out-of-equilibrium steered molecular dynamics data. This task is…
With the help of a simple 20 letters, lattice model of heteropolymers, we investigate the energy landscape in the space of designed good-folder sequences. Low-energy sequences form clusters, interconnected via neutral networks, in the space…
Free electron beams such as those employed in electron microscopes have evolved into powerful tools to investigate photonic nanostructures with an unrivaled combination of spatial and spectral precision through the analysis of electron…
A light beam propagating with an infinite anti-diffracting distance requires infinite power to preserve its shape. However, the fundamental barrier of finite power in free space has made the problem of diffraction insurmountable over the…
In this paper we present a modified localization landscape theory to calculate localized/confined electron and hole states and the corresponding energy eigenvalues without solving a (large) eigenvalue problem. We motivate and demonstrate…
Real-time hierarchical energy-sharing markets are promising to coordinate large numbers of prosumers. Still, most existing clearing methods rely on linearized or DC power-flow models and do not explicitly handle reactive power or…
Since the discovery of electron-wave duality, electron scattering instrumentation has developed into a powerful array of techniques for revealing the atomic structure of matter. Beyond detecting local lattice variations in equilibrium…
Modern `smart' materials have complex microscale structure, often with unknown macroscale closure. The Equation-Free Patch Scheme empowers us to non-intrusively, efficiently, and accurately simulate over large scales through computations on…
Free-electron interactions with light and matter have long served as a cornerstone for exploring the quantum and ultrafast dynamics of material excitation. In recent years, this paradigm has evolved from a classical description of radiation…
We study the electronic properties of dual-gated electron-hole bilayers in which the two layers are separated by a perfectly opaque tunnel barrier. Combining an electrostatic and thermodynamic analysis with mean-field theory estimates of…
Estimating the free energy in molecular simulation requires, implicitly or explicitly, counting how many times the system is observed in a finite region. If the simulation is biased by an external potential, the weight of the configurations…
Hydrogen-bond networks govern molecular structure and function across chemistry, biology and materials science, yet their deterministic control at the atomic scale remains a central challenge (1-9).Here, we directly visualize how an…
We give a comprehensive analysis of the Euler-Jacobi problem of motion in the field of two fixed centers with arbitrary relative strength and for positive values of the energy. These systems represent nontrivial examples of integrable…
We investigate how external screening shapes excitons in two-dimensional (2d) semiconductors embedded in laterally structured dielectric environments. An atomic scale view of these elementary excitations is developed using models which…
The energy landscape dictates pathways and outcomes in supramolecular selfassembly, yet harnessing it from the nano to the macro scales remains a major challenge. Here, we demonstrate liquid liquid phase separation (LLPS) as a powerful tool…
The electromagnetic analog of an elastic spring-mass network is constructed. These electromagnetic circuits offer the promise of manipulating electromagnetic fields in new ways, and linear electrical circuits correspond to a subclass of…
Smart multiantenna wireless power transmission can enable perpetual operation of energy harvesting (EH) nodes in the internet-of-things. Moreover, to overcome the increased hardware cost and space constraints associated with having large…
Control of the band-edge offsets at heterojunctions between organic semiconductors allows efficient operation of either photovoltaic or light-emitting diodes. We investigate systems where the exciton is marginally stable against charge…
Analytical electron microscopy and spectroscopy of biological specimens, polymers, and other beam sensitive materials has been a challenging area due to irradiation damage. There is a pressing need to develop novel imaging and spectroscopic…
This work presents experimental and theoretical analyses of electrokinetic flow in microchannels with glass and silica surfaces across a broad range of electrolyte concentrations (0.01 to 100 mM). We demonstrate simple but effective…