Intermediate equation between modified integration method and surface-integration method

The streamline diffusion method with implicit integration for the multi-dimensional Fermi Pencil Beam equation

We derive error estimates in the appropriate norms, for the streamlinediffusion (SD) finite element methods for steady state, energy dependent,Fermi equation in three space dimensions. These estimates yield optimal convergencerates due to the maximal available regularity of the exact solution.High order SD method together with implicit integration are used. The formulationis strongly consistent...

Finite integration method with RBFs for solving time-fractional convection-diffusion equation with variable coefficients

In this paper, a modification of finite integration method (FIM) is combined with the radial basis function (RBF) method to solve a time-fractional convection-diffusion equation with variable coefficients. The FIM transforms partial differential equations into integral equations and this creates some constants of integration. Unlike the usual FIM, the proposed method computes constants of integ...

A Numerical Integration Method by Using Generalized Series of Functions

Accelerated Adaptive Integration Method

Conformational changes that occur upon ligand binding may be too slow to observe on the time scales routinely accessible using molecular dynamics simulations. The adaptive integration method (AIM) leverages the notion that when a ligand is either fully coupled or decoupled, according to λ, barrier heights may change, making some conformational transitions more accessible at certain λ values. AI...

Thermodynamic integration method

The aim of thermodynamic integration is to compute the difference in a thermodynamic property (usually the free energy) of the system between some reference state and the state of interest. To measure the free energy change from initial to final state, thermodynamic parameters characterizing the system are changed infinitely slowly so that at each stage along the path the system is in equilibri...