133 citations · 220 across the 5 of their papers we have counts for
3 papers · 1 filter
The MRChem multiresolution analysis code for molecular electronic structure calculations: performance and scaling properties
Peter Wind, Magnar Bjørgve, Anders Brakestad +4
MRChem is a code for molecular electronic structure calculations, based on a multiwavelet adaptive basis representation. We provide a description of our implementation strategy and…
Cavity-free continuum solvation: implementation and parametrization in a multiwavelet framework
Gabriel A. Gerez S., Roberto Di Remigio Eikås, Stig Rune Jensen +2
We present a multiwavelet-based implementation of a quantum/classical polarizable continuum model. The solvent model uses a diffuse solute-solvent boundary and a position-dependent…
PCMSolver: an Open-Source Library for Solvation Modeling
Roberto Di Remigio, Arnfinn Hykkerud Steindal, Krzysztof Mozgawa +3
PCMSolver is an open-source library for continuum electrostatic solvation. It can be combined with any quantum chemistry code and requires a minimal interface with the host program…