相关论文: Comparison of Two Formulations for Computing Body …
Diagrammatic techniques are well-known in the calculation of dispersion interactions between atoms or molecules. The multipolar coupling scheme combined with Feynman ordered diagrams significantly reduces the number of graphs compared to…
The Lee-Suzuki iteration method is used to include the folded diagrams in the calculation of the two-body effective interaction $v^{(2)}_{\rm eff}$ between two nucleons in a no-core model space. This effective interaction still depends upon…
We present an approximation scheme for the calculation of the principal excitation energies and transition moments of finite many-body systems. The scheme is derived from a first order approximation to the self energy of a recently proposed…
Based upon the membrane currents generated by an action potential in a biologically realistic model of a pyramidal, hippocampal cell within rat CA1, we perform a moment expansion of the extracellular field potential. We decompose the…
Functional Magnetic Resonance Imaging~(fMRI) is a popular non-invasive modality to investigate activation in the human brain. The end result of most fMRI experiments is an activation map corresponding to the given paradigm. These maps can…
A new formulation of the Maxwell equations based on two vector and two scalar potentials is proposed. The use of these potentials allows the electromagnetic field equations to be written in the form of a hyperbolic system. In contrast to…
This article reviews the mechanical bidomain model, a mathematical description how the extracellular matrix and intracellular cytoskeleton are coupled by integrin proteins. The fundamental hypothesis is that differences between…
We propose four novel mathematical models, describing the microscopic mechanisms of force generation in the cardiac muscle tissue, which are suitable for multiscale numerical simulations of cardiac electromechanics. Such models are based on…
It is known that the excitations in graphene-like materials in external electromagnetic field are described by solutions of massless two-dimensional Dirac equation which includes both Hermitian off-diagonal matrix and scalar potentials. Up…
Accurate ab initio modelling of surfaces and interfaces, especially under an applied external potential bias, is important for describing and characterizing various phenomena that occur in electronic, catalytic, and energy storage devices.…
In this paper, we consider the monodomain model of cardiac electrophysiology. After an analysis of the well-posedness of the forward problem, we show that perfectly insulating regions (modeling ischemic regions in the cardiac tissue) can be…
Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…
We discuss a computationally efficient classical many-body potential designed to model the Al-Al interaction in a wide range of bonding geometries. We show that the potential yields results in properties in excellent agreement with…
An analytical representation for the potential energy curve for the ground state $X^1\Sigma^+$ of the hydrogen fluoride molecule (HF) is presented in the frame of the Born-Oppenheimer approximation. The analytical expression for the…
Reconstructing cardiac electrical activity from body surface electric potential measurements results in the severely ill-posed inverse problem in electrocardiography. Many different regularization approaches have been proposed to improve…
We present a simple, yet general, end-to-end deep neural network representation of the potential energy surface for atomic and molecular systems. This methodology, which we call Deep Potential, is "first-principle" based, in the sense that…
In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…
Volume conductor problems in cerebral electrophysiology and bioimpedance do not have analytical solutions for nontrivial geometries and require a 3D model of the head and its electrical properties for solving the associated PDEs…
Membrane potential in a mathematical model of a cardiac myocyte can be formulated in different ways. Assuming a spatially homogeneous myocyte that is strictly charge-conservative and electroneutral as a whole, two methods will be compared:…
The extracellular space has an ambiguous role in neuroscience. It is present in every physiologically relevant system and often used as a measurement site in experimental recordings, but it has received subordinate attention compared to the…