We perform microscopic molecular dynamics simulations of particle chains with an onsite anharmonicity to study relaxation of spatially homogeneous states to equilibrium, and directly compare the simulations with the corresponding ...

© 2014, Springer-Verlag Berlin Heidelberg.We study the trajectories of a solution (formula presented) to an Itô stochastic differential equation in (formula presented), as the process passes between two disjoint open sets, ...

We propose a multipole representation of the Fermi-Dirac function and the Fermi operator and use this representation to develop algorithms for electronic structure analysis of metallic systems. The algorithm is quite simple ...

On the basis of the genotypic/phenotypic data from Chinese Longitudinal Healthy Longevity Survey (CLHLS) and Cox proportional hazard model, the present study demonstrates that interactions between carrying FOXO1A-209 genotypes ...

We develop a surface hopping algorithm based on frozen Gaussian approximation for semiclassical matrix Schr\"odinger equations, in the spirit of Tully's fewest switches surface hopping method. The algorithm is asymptotically ...

In the context of generalized finite element methods for elliptic equations with rough coefficients $a(x)$, efficiency and accuracy of the numerical method depend critically on the use of appropriate basis functions. This ...

We describe a way of detecting the location of localized eigenvectors of a linear system $Ax = \lambda x$ for eigenvalues $\lambda$ with $|\lambda|$ comparatively large. We define the family of functions $f_{\alpha}: \left\{1.2. ...

© 2015 Elsevier Inc.We develop an efficient algorithm for a spatially inhomogeneous matrix-valued quantum Boltzmann equation derived from the Hubbard model. The distribution functions are 2 × 2 matrix-valued to accommodate ...

We develop a hierarchical matrix construction algorithm using matrix-vector multiplications, based on the randomized singular value decomposition of low-rank matrices. The algorithm uses O(logn) applications of the matrix ...

© 2015, Springer Science+Business Media New York.We propose a density functional theory of Thomas–Fermi–Dirac–von Weizsäcker type to describe the response of a single layer of graphene resting on a dielectric substrate to ...