Search results for "Computational Mathematic"

A new approach for the visualization of DNA methylation results

2019

Multiple solutions for a discrete boundary value problem involving the p-Laplacian.

2008

Multiple solutions for a discrete boundary value problem involving the p-Laplacian are established. Our approach is based on critical point theory.

Local Total Variation Bounded Methods for Hyperbolic Conservation Laws

2003

Solving a model for 1-D, three-phase flow vertical equilibrium processes in a homogeneous porous medium by means of a Weighted Essentially Non Oscill…

2013

Mathematical models of multi-phase flow are useful in some engineering applications like enhanced oil recovery, filtration of pollutants into subsurface, etc. In this work, we derive a mathematical model for the motion of one-dimensional three-phase flow in a porous medium under the condition of vertical equilibrium, which can be viewed as an extension of some two-phase flow models described in the literature. Our model involves a system of two partial differential equations in the form of viscous conservation laws, whose solutions may contain very sharp transitions. We show that a high-order/high resolution Weighted Essentially Non Oscillatory scheme is an appropriate tool to discretize th…

Special issue on geometric constraints and reasoning

2012

Special issue on the occasion of the International Workshop on Complex Networks and their Applications

2014

On a topology optimization problem governed by two-dimensional Helmholtz equation

2015

The paper deals with a class of shape/topology optimization problems governed by the Helmholtz equation in 2D. To guarantee the existence of minimizers, the relaxation is necessary. Two numerical methods for solving such problems are proposed and theoretically justified: a direct discretization of the relaxed formulation and a level set parametrization of shapes by means of radial basis functions. Numerical experiments are given.

Projective Reeds-Shepp car onS2with quadratic cost

2008

Fix two points x, ¯ ∈ S 2 and two directions (without orientation) η,¯ η of the velocities in these points. In this paper we are interested to the problem of minimizing the cost

State-specific multireference coupled-cluster theory

2012

The multireference problem is considered one of the great challenges in coupled-cluster (CC) theory. Most recent developments are based on state-specific approaches, which focus on a single state and avoid some of the numerical problems of more general approaches. We review various state-of-the-art methods, including Mukherjee's state-specific multireference coupled-cluster (Mk-MRCC) theory, multireference Brillouin–Wigner coupled-cluster (MR-BWCC) theory, the MRexpT method, and internally contracted multireference coupled-cluster (ic-MRCC) theory. Related methods such as extended single-reference schemes [e.g., the complete active space coupled-cluster (CASCC) theory] and canonical transfo…

CCSD-CTOCD static dipole shielding polarizability for quantification of the chiral NMR effects in oxaziridine derivatives

2014

Chiral discrimination by nuclear magnetic resonance (NMR) spectroscopy might be achieved through the pseudo-scalar derived from the dipole shielding polarizability tensor. Coupled Cluster Singles and Doubles-Quadratic Response (CCSD-QR) calculations inside the continuous translation of the origin of the current density formalism have been carried out to determine the effects of basis set, electron correlation, and gauge translation on the determination of this magnitude in oxaziridine derivatives. Inclusion of electronic correlation is needed for adequately describing the pseudo-scalar for the heavier nuclei, making CCSD a rigorous and affordable method to compute these high order propertie…