Hannes Jónsson

1. A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
   1999/10/15 by Graeme Henkelman, Hannes Jónsson · 63 citations
   Physics and Astronomy · Engineering · #Advanced Chemical Physics Studies #Molecular Junctions and Nanostructures #Surface and Thin Film Phenomena
2. Reversible work transition state theory: application to dissociative adsorption of hydrogen
   1995/02/01 by Gregory Mills, Hannes Jónsson, Gregory K. Schenter · 11 citations
   Physics and Astronomy · #Quantum, superfluid, helium dynamics #Advanced Chemical Physics Studies #Advanced Thermodynamics and Statistical Mechanics
3. Calculations of Excited Electronic States by Converging on Saddle Points Using Generalized Mode Following
   2023/02/12 by Yorick L. A. Schmerwitz, Gianluca Levi, Schmerwitz, Yorick L. A. +3 · 4 citations
   Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Photochemistry and Electron Transfer Studies #Spectroscopy and Quantum Chemical Studies
4. Saddle Point Search Algorithms for Variational Density Functional Calculations of Excited Electronic States with Self-Interaction Correction
   2024/02/26 by Yorick L. A. Schmerwitz, Núria Urgell Ollé, Schmerwitz, Yorick Leonard Adrian +5 · 2 citations
   Physics and Astronomy · #Semiconductor Quantum Structures and Devices
5. Improved Initialization of Optimal Path Calculations Using Sequential Traversal over the Image Dependent Pair Potential Surface
   2023/10/06 by Yorick L. A. Schmerwitz, Vilhjálmur Ásgeirsson, Schmerwitz, Yorick L. A. +3 · 2 citations
   Chemistry · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science #Various Chemistry Research Topics
6. Single Atom Substituents in Copper Surfaces May Adsorb Multiple CO Molecules
   2024/04/30 by Christiansen, Magnus A. H., Alejandro Peña-Torres, Elvar Ö. Jónsson +4 · 2 citations
   Materials Science · Engineering · Chemistry · #Catalytic Processes in Materials Science #Molecular Junctions and Nanostructures #Nanomaterials for catalytic reactions
7. Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure
   2025/02/27 by Yorick L. A. Schmerwitz, L. Thirion, Gianluca Levi +4 · 1 voice
   Materials Science · Chemical Engineering · Physics and Astronomy · #Machine Learning in Materials Science #Catalysis and Oxidation Reactions #Advanced Chemical Physics Studies