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A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using {\em ab initio} techniques based on density functional theory (DFT). The methods are designed to give an {\em ab initio} approach…

Materials Science · Physics 2009-11-07 D. Alfe` , M. J. Gillan , G. D. Price

Many cells use calcium signalling to carry information from the extracellular side of the plasma membrane to targets in their interior. Since virtually all cells employ a network of biochemical reactions for Ca2+ signalling, much effort has…

Neurons and Cognition · Quantitative Biology 2009-12-17 Maurizio De Pitta` , Vladislav Volman , Herbert Levine , Eshel Ben-Jacob

Proteins' fuzziness are features for communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene…

Quantitative Methods · Quantitative Biology 2024-07-25 Pengzhi Zhang , Jules Nde , Yossi Eliaz , Nathaniel Jennings , Piotr Cieplak , Margaret. S. Cheung

Cold samples of calcium atoms are prepared in the metastable $^{3}$P$_{1}$ state inside an optical cavity resonant with the narrow band (375 Hz) $^{1}$S$_{0} \rightarrow ^{3}$P$_{1}$ intercombination line at 657 nm. We observe superradiant…

Atomic Physics · Physics 2019-09-11 Torben Laske , Hannes Winter , Andreas Hemmerich

The microstructure of the Ti-Al binary system is an area of great interest as it affects material properties and plasticity. Phase transformations induce microstructural changes; therefore, accurately modeling the phase transformations of…

Materials Science · Physics 2024-11-13 Micah Nichols , Christopher D. Barrett , Doyl E. Dickel , Mashroor S. Nitol , Saryu J. Fensin

Molecular dynamics (MD) simulations of the zeta potential are so poor that it has become common to term their predictions 'apparent'. Here we demonstrate how zeta potentials that agree with measured values can be calculated by: (1)…

Computational Physics · Physics 2013-09-04 Hongyi Liu , Lawrence M. Cathles

Unicellular organisms are open metabolic systems that need to process information about their external environment in order to survive. In most types of tissues and organisms, cells use calcium signaling to carry information from the…

Chemical segregation and structural transitions at interfaces are important nanoscale phenomena, making them natural targets for atomistic modeling, yet interatomic potentials must be fit to secondary physical properties. To isolate the…

Materials Science · Physics 2018-02-08 Yang Hu , Jennifer D. Schuler , Timothy J. Rupert

Serotonergic neurons of the dorsal raphe nuclei, with their extensive innervation of nearly the whole brain have important modulatory effects on many cognitive and physiological processes. They play important roles in clinical depression…

Neurons and Cognition · Quantitative Biology 2012-12-06 Henry C. Tuckwell

Based on an analysis of the short range chemical environment of each atom in a system, standard machine learning based approaches to the construction of interatomic potentials aim at determining directly the central quantity which is the…

Materials Science · Physics 2015-08-05 S. Alireza Ghasemi , Albert Hofstetter , Santanu Saha , Stefan Goedecker

Out of equilibrium phases of matter exhibiting order in individual eigenstates, such as many-body localised spin glasses and discrete time crystals, can be characterised by inherently dynamical quantities such as spatiotemporal correlation…

Statistical Mechanics · Physics 2018-06-18 Sthitadhi Roy , Achilleas Lazarides , Markus Heyl , Roderich Moessner

We propose a biologically plausible computational model of working memory (WM) implemented by the spiking neuron network (SNN) interacting with a network of astrocytes. SNN is modelled by the synaptically coupled Izhikevich neurons with a…

Neural systems can be modeled as networks of functionally connected neural elements. The resulting network can be analyzed using mathematical tools from network science and graph theory to quantify the system's topological organization and…

Neurons and Cognition · Quantitative Biology 2020-07-01 Richard F. Betzel , Katherine C. Wood , Christopher Angeloni , Maria Neimark Geffen , Danielle S. Bassett

A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical…

Statistical Mechanics · Physics 2009-11-13 Jeffrey M. Wrighton , James W. Dufty

A model in which a Dirac particle in $\mathbb{R}^{3}$ is bound by $N\geqslant1$ spatially distributed zero-range potentials is presented. Interactions between the particle and the potentials are modeled by subjecting a particle's bispinor…

Quantum Physics · Physics 2022-07-27 Radosław Szmytkowski

Phase diagrams serve as a highly informative tool for materials design, encapsulating information about the phases that a material can manifest under specific conditions. In this work, we develop a method in which Bayesian inference is…

Materials Science · Physics 2023-09-06 Timofei Miryashkin , Olga Klimanova , Vladimir Ladygin , Alexander Shapeev

Using an integration formula recently derived by Conrey, Farmer and Zirnbauer, we calculate the expectation value of the phase factor of the fermion determinant for the staggered lattice QCD action in one dimension. We show that the…

High Energy Physics - Theory · Physics 2008-11-26 L. Ravagli , J. J. M. Verbaarschot

We consider the feasibility of observing a trap-induced resonance [Stock et al., Phys. Rev. Lett. 91, 183201 (2003)] for the case of two 133Cs atoms, trapped in separated wells of a polarization-gradient optical lattice, and interacting…

Atomic Physics · Physics 2009-11-11 Rene Stock , Ivan H. Deutsch

We propose a model for synaptic plasticity based on a calcium signaling cascade. The model simplifies the full signaling pathways from a calcium influx to the phosphorylation (potentiation) and dephosphorylation (depression) of glutamate…

Neurons and Cognition · Quantitative Biology 2019-11-27 Vladimir Kornijcuk , Dohun Kim , Guhyun Kim , Doo Seok Jeong

We study noisy calcium imaging data, with a focus on the classification of spike traces. As raw traces obscure the true temporal structure of neuron's activity, we performed a tuned filtering of the calcium concentration using two methods:…

Neurons and Cognition · Quantitative Biology 2024-09-17 Arianna Burzacchi , Nicoletta D'Angelo , David Payares-Garcia , Jorge Mateu
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