Showing 1–20 of 24 results
/ Date/ Name
Feb 1, 2017Non-linear conductivity of metals from real-time quantum simulationsJul 21, 2011Prediction of the derivative discontinuity in density functional theory from an electrostatic description of the exchange and correlation potentialOct 6, 2025SHarmonic: A fast and accurate implementation of spherical harmonics for electronic-structure calculationsMar 30, 2010Basis set effects on the hyperpolarizability of CHCl_3: Gaussian-type orbitals, numerical basis sets and real-space gridsJun 12, 2013Real-space density functional theory on graphical processing units: computational approach and comparison to Gaussian basis set methodsJan 22, 2015Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systemsJan 25, 2007A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilitiesNov 9, 2012A survey of the parallel performance and the accuracy of Poisson solvers for electronic structure calculationsJun 7, 2021INQ, a modern GPU-accelerated computational framework for (time-dependent) density functional theoryJul 16, 2013More accurate and efficient bath spectral densities from super-resolutionOct 17, 2014A sparse-sampling approach for the fast computation of matrices: application to molecular vibrationsDec 17, 2019Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systemsDec 7, 2019Effect of chemical disorder on the electronic stopping of solid solution alloysFeb 8, 2024Multi-Objective Optimization of Consumer Group Autoscaling in Message Broker SystemsJun 22, 2022Kafka Consumer Group AutoscalerSep 8, 2016Self-interaction effects on charge-transfer collisionsJun 27, 2025Spin non-Collinear Real-Time Time-Dependent Density-Functional Theory and Implementation in the Modern GPU-Accelerated INQ codeJun 18, 2008Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of van der Waals forcesAug 12, 2024Dynamics of ballistic photocurrents driven by Coulomb scatteringDec 15, 2008A modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics