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Materials Science

Working Paper

Effect of H Adsorption on the Magnetic Properties of an Fe Island on a W(110) Surface

Marko Melander, Hannes Jonsson

Version 1 posted 23 August 2019

664

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Theoretical and Computational Chemistry

Working Paper

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function I: Formulation & Tests on Dimer

Elvar Jónsson, Asmus Ougaard Dohn, Hannes Jonsson

Version 2 posted 06 August 2019

638

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Catalysis

Working Paper

Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 evolution on Pt

Maxime Van den Bossche, Egill Skúlason, Christoph Rose-Petruck, Hannes Jonsson

Version 2 posted 10 December 2018

1,674

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Theoretical and Computational Chemistry

Working Paper

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

Asmus Ougaard Dohn, Elvar Jónsson, Hannes Jonsson

Version 1 posted 05 August 2019

555

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Theoretical and Computational Chemistry

Working Paper

Minimum Mode Saddle Point Searches Using Gaussian Process Regression with Inverse-Distance Covariance Function

Olli-Pekka Koistinen, Vilhjálmur Ásgeirsson, Aki Vehtari, Hannes Jónsson

Version 1 posted 21 October 2019

758

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Physical Chemistry

Working Paper

Characterization of deformational isomerization potential and interconversion dynamics with ultrafast x-ray solution scattering

Natalia E. Powers-Riggs, Benedikt O. Birgisson, Sumana Raj, Elisa Biasin, Philipp Lenzen, Diana Bregenholt Zederkof, Morten Haubro, Dagrún K. V. Tveiten, Robert Hartsock, Tim B. van Driel, Kristjan Kunnus, Matthieu Chollet, Joseph Robinson, Silke Nelson, Ruaridh Forbes, Kristoffer Haldrup, Kasper Steen Pedersen, Gianluca Levi, Asmus Ougaard Dohn, Hannes Jónsson, Klaus Braagaard Møller, Adi Natan, Martin Meedom Nielsen, Kelly Gaffney

Version 1 posted 29 March 2024

295

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Physical Chemistry

Working Paper

Electric Field Induced Release of Guest Molecules from Clathrate Hydrates and Its Consequences for Electrochemical CO2 Conversion

Mengjie Lyu, Ziyue Li, Maxime Bossche, Hannes Jónsson, Christoph Rose-petruck

Version 3 posted 05 December 2022

515

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Theoretical and Computational Chemistry

Working Paper

Nudged Elastic Band Calculations Accelerated with Gaussian Process Regression Based on Inverse Inter-Atomic Distances

Olli-Pekka Koistinen, Vilhjálmur Ásgeirsson, Aki Vehtari, Hannes Jónsson

Version 2 posted 22 October 2019

1,525

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Theoretical and Computational Chemistry

Working Paper

Polarizable force field for acetonitrile based on the single-center multipole expansion

Hemanadhan Myneni, Elvar Örn Jónsson, Hannes Jónsson, Asmus Ougaard Dohn

Version 3 posted 28 October 2022

495

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Refine Search

9 results in Hannes Jonsson in Authors: Hannes Jonsson

Effect of H Adsorption on the Magnetic Properties of an Fe Island on a W(110) Surface

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function I: Formulation & Tests on Dimer

Assessment of Constant-Potential Implicit Solvation Calculations of Electrochemical Energy Barriers for H2 evolution on Pt

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

Minimum Mode Saddle Point Searches Using Gaussian Process Regression with Inverse-Distance Covariance Function

Characterization of deformational isomerization potential and interconversion dynamics with ultrafast x-ray solution scattering

Electric Field Induced Release of Guest Molecules from Clathrate Hydrates and Its Consequences for Electrochemical CO2 Conversion

Nudged Elastic Band Calculations Accelerated with Gaussian Process Regression Based on Inverse Inter-Atomic Distances

Polarizable force field for acetonitrile based on the single-center multipole expansion

9 results in Authors: Hannes Jonsson