J. Hutter

activity

20092021

most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations · 5k across the 12 of their papers we have counts for

collaborators

Showing 2014Show all

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physics.chem-ph2014★ 2 cited

Thermal effects on CH $_{3}$ NH $_{3}$ PbI $_{3}$ perovskite from ab-initio molecular dynamics simulations

Marcelo A. Carignano, Ali Kachmar, Jürg Hutter

We present a molecular dynamics simulation study of CH $_{3}$ NH $_{3}$ PbI $_{3}$ based on forces calculated from density functional theory. The simulation were performed on model systems ha…

Thermal effects on CH3​NH3​PbI3​ perovskite from ab-initio molecular dynamics simulations

Thermal effects on CH $_{3}$ NH $_{3}$ PbI $_{3}$ perovskite from ab-initio molecular dynamics simulations