Related papers: A simple electrostatic model applicable to biomole…
We present a set of molecular dynamics (MD) simulations of strongly charged, flexible polyelectrolyte chains under poor solvent conditions in a salt free solution. Structural properties of the chains and of the solutions are reported. By…
The behavior of a polyelectrolyte adsorbed on a charged substrate of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low enough ionic strength medium, the adsorption…
We present the first proof-of-concept simulations of detectors using biomaterials to detect particle interactions. The essential idea behind a "DNA detector" involves the attachment of a forest of precisely-sequenced single or…
The dielectric response of nano-confined fluids is crucial across technologies and biological systems, yet its calculation and interpretation from molecular simulations are often muddled by unclear boundary conditions. We re-derive the…
A simple optical method is presented for identifying and measuring the effective optical properties of nanometer-thick, graphene-based materials, based on the use of substrates consisting of a thin dielectric layer on silicon. High contrast…
Large thermal fluctuations of the liquid phase obscure the weak macroscopic electric field that drives electrochemical reactions, rendering the extraction of reliable interfacial charge distributions from ab initio molecular dynamics…
In numerous systems in biophysics and related fields, scientists measure (with very smart methods) individual molecules (e.g. biopolymers (proteins, DNA, RNA, etc), nano - crystals, ion channels), aiming at finding a model from the data.…
A new particle-based sampling and approximate inference method, based on electrostatics and Newton mechanics principles, is introduced with theoretical ground, algorithm design and experimental validation. This method simulates an…
The electromagnetic response of a nanoparticle of an ion-doped polymeric elastic insulator, commonly called as an electret, is considered in the continuum model of a uniformly charged elastic sphere. The spectral formulae for the frequency…
An ubiquitous property of plasmas is the so-called Debye shielding of the electrostatic potential. Important aspects of Debye screening concern, in particular, the investigation of non-linear charge screening effects taking place in…
High-dimensional feature spaces in particle physics events pose a fundamental challenge to density-estimation-based weakly supervised anomaly detection, whose fidelity degrades rapidly with an increasing number of dimensions. We propose a…
We present our work on High Energy Material detection based on thin film of Lithium using the phenomenon of Optical Pumping. The Li atoms present in the thin film are optically pumped to one of the ground hyperfine energy levels so that…
Because of the dominant role of the surface of molecules and their individuality, molecules behave dis-tinctively in a confined space, which has far-reaching implications in many physical, chemical and bio-logical systems. Here, we…
Visualizing individual charges confined to molecules and observing their dynamics with high spatial resolution is a challenge for advancing various fields in science, ranging from mesoscopic physics to electron transfer events in biological…
Polycrystalline solids can exhibit material properties that differ significantly from those of equivalent single-crystal samples, in part, because of a spontaneous redistribution of mobile point defects into so-called space-charge regions…
The structure of DNA Binding Proteins enables a strong interaction with their specific target site on DNA. However, recent single molecule experiment reported that proteins can diffuse on DNA. This suggests that the interactions between…
Coherent low-energy electrons have been demonstrated as a practical tool for imaging individual macromolecules and two-dimensional (2D) crystals. Low-energy electrons exhibit unique properties: low radiation damage to biological molecules…
We propose a very simple but 'realistic' model of amphiphilic bilayers,simple enough to be able to include a large number of molecules in the sample, but nevertheless detailed enough to include molecular charge distributions, flexible…
The imprint effect, a significant reliability challenge in ferroelectric memories, manifests as a shift in the coercive field during retention and endurance tests, ultimately degrading the usable memory window. \rv{While traditional models…
The analysis of proteins in the gas phase benefits from detectors that exhibit high efficiency and precise spatial resolution. Although modern secondary electron multipliers already address numerous analytical requirements, new methods are…