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Journal of Chemical Theory and Computation|November 6, 2019
Polarizable Embedding with a Transferable H2O Potential Function I: Formulation and Tests on DimerElvar Örn Jónsson, Asmus Ougaard Dohn, Hannes JónssonJournal of Chemical Theory and Computation|November 7, 2019
Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O) Clusters and Liquid WaterAsmus Ougaard Dohn, Elvar Örn Jónsson, Hannes JónssonThe Journal of Physical Chemistry Letters|December 15, 2022
New Insights into the Volume Isotope Effect of Ice Ih from Polarizable Many-Body PotentialsSoroush Rasti, Elvar Örn Jónsson, Hannes Jónsson, et al.The Journal of Physical Chemistry. B|November 7, 2022
Polarizable Force Field for Acetonitrile Based on the Single-Center Multipole ExpansionHemanadhan Myneni, Elvar Örn Jónsson, Hannes Jónsson, et al.Journal of Chemical Theory and Computation|November 17, 2022
Transferable Potential Function for Flexible H2O Molecules Based on the Single-Center Multipole ExpansionElvar Örn Jónsson, Soroush Rasti, Marta Galynska, et al.Journal of Chemical Theory and Computation|August 30, 2021
Elastic Collision Based Dynamic Partitioning Scheme for Hybrid SimulationsBjörn Kirchhoff, Elvar Örn Jónsson, Asmus Ougaard Dohn, et al.The Journal of Chemical Physics|March 7, 2024
GPAW: An open Python package for electronic structure calculationsJens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma, et al.Pageof 1