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

Epistemic and systematic uncertainties in Monte Carlo simulation: an investigation in proton Bragg peak simulation

Equation-Free Multiscale Computation: enabling microscopic simulators to perform system-level tasks

Equation-Free Multiscale Computations in Social Networks: from Agent-based Modelling to Coarse-grained Stability and Bifurcation Analysis

Equilibrium Geometries, Reaction Pathways, and Electronic Structures of Ethanol Adsorbed on the Si (111) Surface