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Now showing items 11-20 of 93
Thermalization of oscillator chains with onsite anharmonicity and comparison with kinetic theory.
(Phys Rev E, 2016-12)
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 ...
Reactive trajectories and the transition path process
(Probability Theory and Related Fields, 2014-01-01)
© 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, ...
Multipole representation of the Fermi operator with application to the electronic structure analysis of metallic systems
(Physical Review B - Condensed Matter and Materials Physics, 2009-03-03)
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 ...
Interaction Between the FOXO1A-209 Genotype and Tea Drinking Is Significantly Associated with Reduced Mortality at Advanced Ages.
(Rejuvenation Res, 2016-06)
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 ...
Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: A mathematical justification of fewest switches surface hopping algorithms
(2017-04-23)
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 ...
Randomized sampling for basis functions construction in generalized finite element methods
(2018-02-14)
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 ...
Detecting localized eigenstates of linear operators
(2017-11-30)
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. ...
Numerical scheme for a spatially inhomogeneous matrix-valued quantum Boltzmann equation
(Journal of Computational Physics, 2015-06-05)
© 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 ...
Fast construction of hierarchical matrix representation from matrix-vector multiplication
(Journal of Computational Physics, 2011-05-10)
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 ...
Orbital-Free Density Functional Theory of Out-of-Plane Charge Screening in Graphene
(Journal of Nonlinear Science, 2015-12-01)
© 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 ...