A versatile simulation of slow moving vortex lattices

Ab initio investigation of the groundstate, electronic, and optical properties of polyyne and cumulene prototypes

Ab initio mass tensor molecular dynamics

Ab-initio Study of Size and Strain Effects on the Electronic Properties of Si Nanowires

Accelerating a FFT-based solver for numerical homogenization of periodic media by conjugate gradients

Accelerating Atomic Orbital-based Electronic Structure Calculation via Pole Expansion plus Selected Inversion

Accelerating numerical solution of Stochastic Differential Equations with CUDA

Accelerating the convergence of path integral dynamics with a generalized Langevin equation

Accelerating the Fourier split operator method via graphics processing units

Acceleration of a QM/MM-QMC simulation using GPU

Acceleration of quantum optimal control theory algorithms with mixing strategies

Accurate discretization of advection-diffusion equations

Accurate Estimation of Solvation Free Energy Using Polynomial Fitting Techniques

Accurate Modeling of the Cubic and Antiferrodistortive Phases of SrTiO3 with Screened Hybrid Density Functional Theory

Accurate numerical solutions of the time-dependent Schrödinger equation

Accurate polynomial interpolations of special functions

Accurate sampling using Langevin dynamics

Accurate, efficient and simple forces with Quantum Monte Carlo methods

ACEMD: Accelerating bio-molecular dynamics in the microsecond time-scale

Activating Mg acceptors in AlN by oxygen: first principles calculations