Electronic structure calculations for PrFe4P12 filled skutterudite using Extended Huckel tight-binding method

Electrostatic Interactions in Finite Systems treated with Periodic Boundary Conditions: Application to Linear-Scaling Density Functional Theory

Element orbitals for Kohn-Sham density functional theory

Elementary Integration Methods for Velocity Excitations in Displacement Digital Waveguides

Eliminating spin contamination in auxiliary-field quantum Monte Carlo: realistic potential energy curve of F2

Elliptic Cylindrical Invisibility Cloak, a Semianalytical Approach Using Mathieu Functions

Embedding on to a one-dimensional crystal

EMC studies using the simulation framework of PANDA

Emission spectra of p-Si and p-Si:H models generated by ab initio molecular dynamics methods

Empirical Functionals for Reduced Density Matrix Functional Theory

Encryption with Delayed Dynamics

Energy minimization using Sobolev gradients: application to phase separation and ordering

Enhanced molecular dynamics performance with a programmable graphics processor

Enhanced sampling in generalized ensemble with large gap of sampling parameter: case study in temperature space random walk

Enhancing structure relaxations for first-principles codes: an approximate Hessian approach

Enhancing the understanding of entropy through computation

Entropic effects in large-scale Monte Carlo simulations

Entropy and weak solutions in the LBGK model

Entropy and weak solutions in the thermal model for the compressible Euler equations

Environmental Adaptability and Mutants: Exploring New Concepts in Particle Transport for Multi-Scale Simulation