Showing 201–220 of 236 results
/ Date/ Name
Dec 7, 2015FabSim: facilitating computational research through automation on large-scale and distributed e-infrastructuresAug 10, 2015Low lattice thermal conductivity of staneneJul 7, 2015Hour-glass magnetic excitations induced by nanoscopic phase separation in cobalt oxides La$_{2-x}$Sr$_x$CoO$_4$May 13, 2015Simple and efficient way of speeding up transmission calculations with $k$-point samplingNov 27, 2014A trigonometric integrator for the constrained ring polymer Hamiltonian dynamicsNov 25, 2014An explicit multistep method for the Wigner problemOct 28, 2014PyCraters: A Python framework for crater function analysisAug 29, 2014Diffusion-Based Coarse Graining in Hybrid Continuum-Discrete Solvers: Theoretical Formulation and A Priori TestsMar 21, 2014On the role of physisorption states in molecular scattering: A semi-local density-functional theory study on O2/Ag(111)Mar 9, 2014One-dimensional Silicon and Germanium Nanostructures With No Carbon AnaloguesFeb 14, 2014Stabilizing Canonical-Ensemble Calculations in the Auxiliary-Field Monte Carlo MethodAug 14, 2013Calculating Hyperfine Couplings in Large Ionic Crystals Containing Hundreds of QM Atoms: Subsystem DFT is the KeyAug 12, 2013Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculationsJul 20, 2012Current status of MCNP6 as a simulation tool useful for space and accelerator applicationsJul 17, 2012A Common Thread: the pairing interaction for the unconventional superconductorsJun 13, 2012DEUS Full Observable ΛCDM Universe Simulation: the numerical challengeOct 13, 2011Low-Mach-number turbulence in interstellar gas revealed by radio polarization gradientsDec 16, 2010Tracking algorithms for the active target MAYAOct 11, 2010Half-Heusler Topological Insulators: A First-Principle Study with the Tran-Blaha Modified Becke-Johnson Density FunctionalJul 29, 2010Discovery of several large families of Topological Insulator classes with backscattering-suppressed spin-polarized single-Dirac-cone on the surface