Automated quantum conductance calculations using maximally-localised Wannier functions

Automated sampling assessment for molecular simulations using the effective sample size

Automatic generation of vacuum amplitude many-body perturbation series

Automatic grid construction for few-body quantum mechanical calculations

Automatic Parameterization of Force Fields for Liquids by Simplex Optimization

autoScale.py - A program for automatic finite-size scaling analyses: A user's guide

Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis

Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements

Averaging methods for stochastic dynamics of complex reaction networks: description of multi-scale couplings

Backward error analysis for multisymplectic discretizations of Hamiltonian PDEs

Band structure of Si/Ge core-shell nanowires along [110] direction modulated by external uniaxial strain

Bayesian estimation of GARCH model by hybrid Monte Carlo

Been Down So Long it Looks Like Up to Me: A Unified Derivation of Conjugate Gradient and Variable Metric Minimization

Behaviour and Perception-based Pedestrian Evacuation Simulation

BEM3D: a free adaptive fast multipole boundary element library

Benchmark helium dimer and trimer calculations with a public few-body code

Benchmarking and scaling studies of a pseudospectral code Tarang for turbulence simulations

Beyond the poor man's implementation of unconditionally stable algorithms to solve the time-dependent Maxwell Equations

BFKL, MM, Alpert-Rokhlin's transform, FFTW, ARPACK and all that

Binary interaction algorithms for the simulation of flocking and swarming dynamics