Hannes Jonsson

Reykjavik, 107, Iceland

Last Updated: 09/26/2026

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Found 101 publications

Surface sites drive Fe enrichment at reactive olivine interfaces.

Surface sites drive Fe enrichment at reactive olivine interfaces.

Journal: Physical chemistry chemical physics : PCCP

Published: June 18, 2026

Orbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg States.

Orbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg States.

Journal: Journal of chemical theory and computation

Published: March 24, 2026

Viscosity as a Smoking Gun for Complex Formation in Solution: Fe2+ and Mg2+ Chlorides as Examples.

Viscosity as a Smoking Gun for Complex Formation in Solution: Fe2+ and Mg2+ Chlorides as Examples.

Journal: The journal of physical chemistry. B

Published: March 16, 2026

Enhanced climbing image nudged elastic band method with Hessian eigenmode alignment.

Enhanced climbing image nudged elastic band method with Hessian eigenmode alignment.

Journal: Frontiers in chemistry

Published: February 09, 2026

Tuning Molecular Motors with tert-Butyl and Fluorinated tert-Butyl Groups.

Tuning Molecular Motors with tert-Butyl and Fluorinated tert-Butyl Groups.

Journal: The journal of physical chemistry. A

Published: December 26, 2025

Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches.

Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry

Published: October 07, 2025

Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions.

Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions.

Journal: Journal of chemical theory and computation

Published: August 11, 2025

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice.

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice.

Journal: Small methods

Published: August 04, 2025

Localized and Delocalized Charge Distribution in a Diamine Cation and Rydberg Excited State: A Challenging Test for Density Functionals.

Localized and Delocalized Charge Distribution in a Diamine Cation and Rydberg Excited State: A Challenging Test for Density Functionals.

Journal: The journal of physical chemistry letters

Published: June 04, 2025

Fine Tuning of the Rotational Speed of Light-Driven, Second-Generation Molecular Motors by Fluorine Substitution.

Fine Tuning of the Rotational Speed of Light-Driven, Second-Generation Molecular Motors by Fluorine Substitution.

Journal: The journal of physical chemistry letters

Published: April 14, 2025

Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure.

Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure.

Journal: Journal of chemical theory and computation

Published: February 27, 2025

Silver Electrodes Are Highly Selective for CO in CO2 Electroreduction due to Interplay between Voltage Dependent Kinetics and Thermodynamics.

Silver Electrodes Are Highly Selective for CO in CO2 Electroreduction due to Interplay between Voltage Dependent Kinetics and Thermodynamics.

Journal: The journal of physical chemistry letters

Published: November 11, 2024

Showing 1-12 of 101

Last Updated: 09/26/2026