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On Core and Curvature Corrections used in Straight-Line Vortex Filament Methods
Core and Curvature Corrections Straight-Line Vortex Filament Methods Computational Physics
2012/4/24
The convergence characteristics of two viscous core corrections as used in straight-line segmentation methods are rigorously analysed. These are \emph{curvature corrections} that account for the induc...
SPICE model of memristive devices with threshold
SPICE model memristive devices threshold Computational Physics
2012/4/24
Although memristive devices with threshold voltages are the norm rather than the exception in experimentally realizable systems, their SPICE programming has not yet been suggested. Here, we show how t...
Validity of Viscous Core Correction Models for Self-Induced Velocity Calculations
Validity of Viscous Core Correction Models Self-Induced Velocity Calculations Computational Physics
2012/4/20
Viscous core correction models are used in free wake simulations to remove the infinite velocities at the vortex centreline. It will be shown that the assumption that these corrections converge to the...
A molecular simulation analysis of producing monatomic carbon chains by stretching ultranarrow graphene nanoribbons
molecular simulation analysis monatomic carbon chains ultranarrow graphene nanoribbons Computational Physics
2012/4/20
Atomistic simulations were utilized to develop fundamental insights regarding the elongation process starting from ultranarrow graphene nanoribbons (GNRs) and resulting in monatomic carbon chains (MAC...
Finding the ground state of a fermionic Hamiltonian using quantum Monte Carlo is a very difficult problem, due to the Fermi sign problem. While still scaling exponentially, full configuration-interact...
Direct Minimization for Ensemble Electronic Structure Calculations
Direct Minimization Ensemble Electronic Structure Calculations Computational Physics
2012/4/19
We consider a direct optimization approach for ensemble density functional theory electronic structure calculations. The update operator for the electronic orbitals takes the structure of the Stiefel ...
Direct minimization of electronic structure calculations with Householder reflections
Direct minimization of electronic structure calculations Householder reflections Computational Physics
2012/4/19
We consider a minimization scheme based on the Householder transport operator for the Grassman manifold, where a point on the manifold is represented by a m x n matrix with orthonormal columns. In par...
GPGPU for orbital function evaluation with a new updating scheme
GPGPU orbital function evaluation new updating scheme Computational Physics
2012/4/19
We accelerated an {\it ab-initio} QMC electronic structure calculation by using GPGPU. The bottleneck of the calculation for extended solid systems is replaced by CUDA-GPGPU subroutine kernels which b...
视频：南京大学大学物理学第37讲 Wave function。
Colored-noise thermostats a la carte
Colored-noise thermostats a la carte Computational Physics
2012/4/19
Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecular dynamics as a tool to obtain dynamical trajectories whose properties are tailored to display desir...
A Space-time Smooth Artificial Viscosity Method For Nonlinear Conservation Laws
Space-time Smooth Artificial Viscosity Method Nonlinear Conservation Laws Computational Physics
2012/4/19
We introduce the $C$-method, a simple scheme for adding localized, space-time smooth, artificial viscosity to nonlinear systems of conservation laws which propagate shock waves, rarefactions, and cont...
We present a simple algorithm to locate the onset and bifurcation points of period-n cycles of the logistic map and some related maps. For the logistic, H\'enon and cubic map, we computed the polynomi...
Solution of the Schrodinger equation containing a Perey-Buck nonlocality
Solution of the Schrodinger equation Perey-Buck nonlocality Computational Physics
2012/4/19
The solution of a radial Schr\"odinger equation for {\psi}(r) containing a nonlocal potential of the form \int{K(r,r') {\psi}(r') dr'} is obtained to high accuracy by means of two methods. An applicat...
Sensitivity computation of periodic and chaotic limit cycle oscillations
Sensitivity analysis linear response adjoint equation unsteady adjoint chaos statistical average
2012/4/19
Sensitivity analysis can be a powerful tool for multi-disciplinary design optimization of nonlinear flow structure interaction. For computing sensitivity of time averaged quantities in chaotic oscilla...
Quantification of group chasing and escaping process
Quantification of group chasing escaping process Computational Physics
2012/4/19
We study a simple group chase and escape model by introducing new parameters with which configurations of chasing and escaping in groups are classified into three characteristic patterns. In particula...