نتائج البحث - "Jónsson, Hannes"

1

Report

Doping-Induced Enhancement of Hydrogen Evolution at MoS2 Electrodes

المؤلفون: Hanslin, Sander Ø., Jónsson, Hannes, Akola, Jaakko

مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Chemical Physics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2409.02749

View record in Arxiv

2

Report

Silver electrodes are highly selective for CO in CO$_2$ electroreduction due to interplay between voltage dependent kinetics and thermodynamics

المؤلفون: Fiorentin, Michele Re, Risplendi, Francesca, Salvini, Clara, Zeng, Juqin, Cicero, Giancarlo, Jónsson, Hannes

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2408.15124

View record in Arxiv

3

Report

Revisiting N$_2$ with Neural-Network-Supported CI

المؤلفون: Schmerwitz, Yorick L. A., Thirion, Louis, Levi, Gianluca, Jónsson, Elvar Ö., Bilous, Pavlo, Jónsson, Hannes, Hansmann, Philipp

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2406.08154

View record in Arxiv

4

Report

Fine Tuning of the Rotational Rate of Light-Driven, Second Generation Molecular Motors by Fluorine Substitutions

المؤلفون: Tambovtsev, Ivan, Schmerwitz, Yorick L. A., Levi, Gianluca, Darmoroz, Darina D., Nesterov, Pavel V., Orlova, Tetiana, Jónsson, Hannes

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2405.18345

View record in Arxiv

5

Report

Single Atom Substituents in Copper Surfaces May Adsorb Multiple CO Molecules

المؤلفون: Christiansen, Magnus A. H., Peña-Torres, Alejandro, Jónsson, Elvar Ö., Jónsson, Hannes

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2404.19587

View record in Arxiv

6

Report

Identification of mechanisms of magnetic transitions using an efficient method for converging on first order saddle points

المؤلفون: Schrautzer, Hendrik, Sallermann, Moritz, Bessarab, Pavel F., Jónsson, Hannes

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/2403.11799

View record in Arxiv

7

Report

Saddle Point Search Algorithms for Variational Density Functional Calculations of Excited Electronic States with Self-Interaction Correction

المؤلفون: Schmerwitz, Yorick Leonard Adrian, Ollé, Núria Urgell, Levi, Gianluca, Jónsson, Hannes

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2402.16601

View record in Arxiv

8

Report

Evidence of sharp transitions between octahedral and capped trigonal prism states of the solvation shell of Fe$^{+3}$(aq)

المؤلفون: Goswami, Amrita, Peña-Torres, Alejandro, Jónsson, Elvar Ö., Egorov, Sergei A., Jónsson, Hannes

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2312.10471

View record in Arxiv

9

Report

Orbital-optimized Density Functional Calculations of Molecular Rydberg Excited States with Real Space Grid Representation and Self-Interaction Correction

المؤلفون: Sigurðarson, Alec E., Schmerwitz, Yorick L. A., Tveiten, Dagrún K. V., Levi, Gianluca, Jónsson, Hannes

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2310.17605

View record in Arxiv

10

Report

GPAW: An open Python package for electronic-structure calculations

المؤلفون: Mortensen, Jens Jørgen, Larsen, Ask Hjorth, Kuisma, Mikael, Ivanov, Aleksei V., Taghizadeh, Alireza, Peterson, Andrew, Haldar, Anubhab, Dohn, Asmus Ougaard, Schäfer, Christian, Jónsson, Elvar Örn, Hermes, Eric D., Nilsson, Fredrik Andreas, Kastlunger, Georg, Levi, Gianluca, Jónsson, Hannes, Häkkinen, Hannu, Fojt, Jakub, Kangsabanik, Jiban, Sødequist, Joachim, Lehtomäki, Jouko, Heske, Julian, Enkovaara, Jussi, Winther, Kirsten Trøstrup, Dulak, Marcin, Melander, Marko M., Ovesen, Martin, Louhivuori, Martti, Walter, Michael, Gjerding, Morten, Lopez-Acevedo, Olga, Erhart, Paul, Warmbier, Robert, Würdemann, Rolf, Kaappa, Sami, Latini, Simone, Boland, Tara Maria, Bligaard, Thomas, Skovhus, Thorbjørn, Susi, Toma, Maxson, Tristan, Rossi, Tuomas, Chen, Xi, Schmerwitz, Yorick Leonard A., Schiøtz, Jakob, Olsen, Thomas, Jacobsen, Karsten Wedel, Thygesen, Kristian Sommer

المصدر: Journal of Chemical Physics 160, 092503 (2024)

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2310.14776

View record in Arxiv

11

Report

Improved Initialization of Optimal Path Calculations Using Sequential Traversal over the Image Dependent Pair Potential Surface

المؤلفون: Schmerwitz, Yorick L. A., Ásgeirsson, Vilhjálmur, Jónsson, Hannes

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2310.04531

View record in Arxiv

12

Report

Electronic excitations of the charged nitrogen-vacancy center in diamond obtained using time-independent variational density functional calculations

المؤلفون: Ivanov, Aleksei V., Schmerwitz, Yorick L. A., Levi, Gianluca, Jónsson, Hannes

المصدر: SciPost Phys. 15 (2023) 009

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Chemical Physics, Quantum Physics

URL الوصول: http://arxiv.org/abs/2303.03838

View record in Arxiv

13

Report

On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis

المؤلفون: Kirchhoff, Björn, Jónsson, Elvar Örn, Jacob, Timo, Jónsson, Hannes

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Soft Condensed Matter

URL الوصول: http://arxiv.org/abs/2303.02092

View record in Arxiv

14

Report

Calculations of Excited Electronic States by Converging on Saddle Points Using Generalized Mode Following

المؤلفون: Schmerwitz, Yorick L. A., Levi, Gianluca, Jónsson, Hannes

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2302.05912

View record in Arxiv

15

Report

A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces and nanoparticles

المؤلفون: Kloppenburg, Jan, Pártay, Livia B., Jónsson, Hannes, Caro, Miguel A.

المصدر: J. Chem. Phys. 158, 134704 (2023)

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2301.11639

View record in Arxiv

16

Academic Journal

Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution.

المؤلفون: Birgisson, Benedikt O., Dohn, Asmus Ougaard, Jónsson, Hannes, Levi, Gianluca

المصدر: Journal of Chemical Physics; 1/28/2025, Vol. 162 Issue 4, p1-14, 14p

17

Report

Stability of Hopfions in Bulk Magnets with Competing Exchange Interactions

المؤلفون: Sallermann, Moritz, Jónsson, Hannes, Blügel, Stefan

مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/2212.01320

View record in Arxiv

18

Report

Is the doped MoS2 basal plane an efficient hydrogen evolution catalyst? Calculations of voltage-dependent activation energy

المؤلفون: Hanslin, Sander Ø., Jónsson, Hannes, Akola, Jaakko

مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2210.01008

View record in Arxiv

19

Report

Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426

المؤلفون: Kloppenburg, Jan, Pedersen, Andreas, Laasonen, Kari, Caro, Miguel A., Jónsson, Hannes

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Mesoscale and Nanoscale Physics

URL الوصول: http://arxiv.org/abs/2203.16893

View record in Arxiv

20

Report

Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting

المؤلفون: Schmerwitz, Yorick L. A., Ivanov, Aleksei V., Jónsson, Elvar Ö., Jónsson, Hannes, Levi, Gianluca

المصدر: J. Phys. Chem. Lett. 2022, 13, 18, 3990-3999

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2203.07197

View record in Arxiv

تنقيح النتائج