Jan Kloppenburg

Department of Chemistry and Material Sciences — Russia

Materials Science · Physical Sciences

5h-index921citations24works1.62yr avg
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Research Topics

Machine Learning in Materials Science(9), Electrocatalysts for Energy Conversion(8), Advanced Chemical Physics Studies(6), Electron and X-Ray Spectroscopy Techniques(4), Gold and Silver Nanoparticles Synthesis and Applications(3)

Publications24 total

Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters
ACS Catalysis·2025· 5 citedOpen Access
Atomistic Understanding of Hydrogen Coverage on RuO<sub>2</sub>(110) Surface under Electrochemical Conditions from <i>Ab Initio</i> Statistical Thermodynamics
The Journal of Physical Chemistry C·2025· 3 cited
Roadmap on Advancements of the FHI-aims Software Package
JuSER Publikationsportal·2025Open Access
Atomistic understanding of hydrogen coverage on RuO2(110) surface under electrochemical conditions from ab initio statistical thermodynamics
arXiv (Cornell University)·2024Open Access
Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters
arXiv (Cornell University)·2024Open Access
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
The Journal of Chemical Physics·2023· 22 citedOpen Access
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces and nanoparticles
arXiv (Cornell University)·2023Open Access
Platinum nanoparticle database
2022· 1 citedOpen Access
General-purpose GAP potential for platinum
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
General-purpose GAP potential for platinum
2022· 1 citedOpen Access
General-purpose GAP potential for platinum
2022Open Access
Platinum nanoparticle database
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
arXiv (Cornell University)·2022Open Access
GAP interatomic potential for gold
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
GAP interatomic potential for gold
2022· 1 citedOpen Access
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
Nanoscale·2022· 4 cited
Amorphization mechanism of SrIrO <sub>3</sub> electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization
Science Advances·2021· 198 citedOpen Access
All-electron <i>ab initio</i> Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals
The Journal of Chemical Physics·2020· 59 citedOpen Access
The (3$\times$3)-SiC-($\bar{1}\bar{1}\bar{1}$) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search
arXiv (Cornell University)·2019Open Access
The (3×3)-SiC-(¯1¯1¯1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search
MPG.PuRe (Max Planck Society)·2019Open Access
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Frequent Co-authors

A. Miguel(10), Geoffroy Hautier(6), Darrell G. Schlom(6), Jin Suntivich(6), Ding-Yuan Kuo(4), Kyle Shen(4), Volker Blüm(4), Hannes Jónsson(4), Jocienne N. Nelson(3), Yosuke Kanai(3), Miguel A. Caro(3), Björn Lange(3), Hanjong Paik(2), Lívia B. Pártay(2), Jiali Sheng(2), Zhenyu Xu(2), Kristoffer Meinander(2), Zhong‐Peng Lv(2), Esko I. Kauppinen(2), Olli Ikkala(2)