Research output per year
Research output per year
Personal profile
Education/Academic qualification
Doctoral degree, Natural Sciences, Charles University
Award Date: 30 Nov 2017
Keywords
- DFT (Density Functional Theory)
- SPM (Scanning Probe Microscopy)
- Surface Science
- Theoretical Simulations
- Code development
- Molecular adsorption
- X-ray spectroscopy simulations
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Dive into the research topics where Ondrej Krejci is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Research output
- 17 Article
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Leveraging active learning-enhanced machine-learned interatomic potential for efficient infrared spectra prediction
Bhatia, N., Rinke, P. & Krejčí, O., Dec 2025, In: npj Computational Materials. 11, 1, p. 1-12 12 p., 324.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile1 Downloads (Pure) -
Machine learning accelerated descriptor design for catalyst discovery in CO2 to methanol conversion
Pisal, P., Krejci, O. & Rinke, P., Dec 2025, In: npj Computational Materials. 11, 1, p. 1-9 9 p., 213.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile1 Citation (Scopus)19 Downloads (Pure) -
Advancing scanning probe microscopy simulations : A decade of development in probe-particle models
Oinonen, N., Yakutovich, A. V., Gallardo, A., Ondráček, M., Hapala, P. & Krejčí, O., Dec 2024, In: Computer Physics Communications. 305, p. 1-12 12 p., 109341.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile5 Citations (Scopus)72 Downloads (Pure) -
Differences in Molecular Adsorption Emanating from the (2 × 1) Reconstruction of Calcite(104)
Heggemann, J., Ranawat, Y. S., Krejčí, O., Foster, A. S. & Rahe, P., 23 Feb 2023, In: Journal of Physical Chemistry Letters. 14, 7, p. 1983-1989 7 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile10 Citations (Scopus)49 Downloads (Pure) -
On-surface synthesis of disilabenzene-bridged covalent organic frameworks
Sun, K., Silveira, O. J., Ma, Y., Hasegawa, Y., Matsumoto, M., Kera, S., Krejčí, O., Foster, A. S. & Kawai, S., Jan 2023, In: Nature Chemistry. 15, 1, p. 136-142 7 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile48 Citations (Scopus)49 Downloads (Pure)
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VILMA2: VILMA2/Rinke
Rinke, P. (Principal investigator), Krejci, O. (Project Member), Pisal, P. (Project Member), Wallgren, K. (Project Member), Löfgren, J. (Project Member), Sandström, H. (Project Member), Laakso, J. (Project Member) & Lind, L. (Project Member)
01/01/2024 → 31/12/2026
Project: RCF Academy Project
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TRSS: Towards Realistic Surface Structures
Krejci, O. (Principal investigator)
01/01/2026 → 31/12/2029
Project: RCF Academy Research Fellow (new)
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AIcon/Rinke: AI-guided CO2 Conversion
Rinke, P. (Principal investigator), Pisal, P. (Project Member), Sorvisto, D. (Project Member) & Krejci, O. (Project Member)
EU The Recovery and Resilience Facility (RRF)
01/01/2022 → 31/12/2024
Project: RCF Academy Project targeted call
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AI-4-LCC: Exploiting Lignin-Carbohydrate Complex (LCC) through Artificial Intelligence
Rinke, P. (Principal investigator), Lamminmäki, M. (Project Member), Le, H. (Project Member), Stosiek, M. (Project Member) & Krejci, O. (Project Member)
01/09/2021 → 31/08/2025
Project: RCF Academy Project
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QMKPFM: Quantum approach to modelling high resolution Kelvin Probe Force Microscopy
Krejci, O. (Principal investigator)
20/12/2019 → 04/03/2022
Project: EU: MC
Datasets
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CO-tip fm-nc-AFM simulations of 1S-camphor/Cu(111) stable configurations
Krejci, O. (Creator), Zenodo, 6 May 2021
Dataset
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Theoretical simulations for: Synthesis and Local Probe Gating of a Monolayer Metal‐Organic Framework
Silveira Júnior, O. (Contributor), Krejci, O. (Creator) & Foster, A. (Supervisor), Zenodo, 21 May 2021
Dataset
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Theoretial simulations for - Biphenylene network: A nonbenzenoid carbon allotrope
Krejci, O. (Creator), Dimosthenous, S. (Contributor) & Foster, A. (Supervisor), Zenodo, 21 May 2021
Dataset
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On-Surface Synthesis of a π-Extended Diaza[8]circulene
Nakamura, K. (Creator), Li, Q.-Q. (Creator), Krejci, O. (Creator), Foster, A. (Creator), Kawai, S. (Creator) & Ito, S. (Creator), Zenodo, 15 May 2020
Dataset
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SINGROUP/CP2k_mtools: CP2K_mtools-v1.0
Krejčí, O. (Creator) & Foster, A. (Creator), Zenodo, 2022
Dataset: Software or code