Publications
| 2026 | ||||||
| 36. | T. Barnowsky, C. Timm, and R. Friedrich, High-Throughput Prediction of Exfoliable Non-van der Waals Materials from a Universal Potential Nat. Commun.,17, 8977 (2026). DOI: 10.1038/s41467-026-76806-8 |
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| 35. | M. L. Saladino, A. Spinella, P. Bukowska, R. Friedrich, M. Sójka, and E. Zych, Site-selective cation distribution and structural distortion in Y3Al5-xGaxO12:Pr garnet phosphors: a multi-analytical investigation J. Mater. Chem. C, (2026). DOI: 10.1039/d6tc01758d |
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| 34. | A. Tarancon, M. Botros, B. P. Gangwar, K. Biswas, S. Divilov, H. Eckert, R. Friedrich, A. Calzolari, S. Curtarolo, A. Ludwig, F. Strauss, T. Brezesinski, B. Breitung, M. Fichtner, R. He, A. Cabot, J. Dąbrowa, J.-T. Ren, Z.-Y. Yuan, C. Zlotea, V. Stavila, S. Yang, M. Hu, H.-F. Li, J. He, A. S. Ulrich and M. Lepple, 2026 Roadmap on compositionally complex and high entropy materials for energy applications J. Physics Energy, 8, 031501 (2026). DOI: 10.1088/2515-7655/ae57d9 |
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| 33. | A. Nihei, T. Barnowsky, and R. Friedrich, Non-van der Waals Heterostructures Acta Mater. 315, 122370 (2026). DOI: 10.1016/j.actamat.2026.122370 |
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| 32. | M. Lokamani, G. Bihlmayer, G. Michalicek, D. Wortmann, S. Blügel, and R. Friedrich, Towards Non-van der Waals 2D Topological Insulators Manuscript submitted (2026). DOI: 10.48550/arXiv.2604.14976 |
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| 31. | S. Kretschmer, M. Ghorbani-Asl, R. Friedrich, X. Zhang, T. Barnowsky, F. Davies, M. Jain, P. Santra, and A. V. Krasheninnikov, Production of Defects in Two-Dimensional Materials Under Ion and Electron Irradiation: Insights from Advanced First-Principles Calculations High Performance Computing in Science and Engineering ’23, 173 (2026). DOI: 10.1007/978-3-031-91312-9_13 |
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| 2025 | ||||||
| 30. | S. Divilov, H. Eckert, S. D. Thiel, S.D. Griesemer, R. Friedrich, N. H. Anderson, M.J. Mehl, D. Hicks, M. Esters, N. Hotz, X. Campilongo, A. Calzolari, and S. Curtarolo, AFLOW4: heading toward disorder High Entropy Alloys & Materials 3, 178 (2025). DOI: 10.1007/s44210-025-00058-2 |
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| 29. | V. Shamraienko, R. Friedrich, S. Subakti, A. Lubk, A. V. Krasheninnikov, and A. Eychmüller, Weak Spots in Semiconductor Nanoplatelets: From Isolated Defects Toward Directed Nanoscale Assemblies Small 21, 2411112 (2025). DOI: 10.1002/smll.202411112 |
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| 2024 | ||||||
| 28. | M. A. Herz, J.-M. Hübner, J. Sichelschmidt, R. Friedrich, and M. Ruck, Atom Cluster Chains with Strong Spin–Orbit Coupling and Magnetic Cations in Mn[PtBi6I12] Inorganic Chemistry 63, 23867 (2024). DOI: 10.1021/acs.inorgchem.4c04166 |
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| 27. | T. Barnowsky, S. Curtarolo, A. V. Krasheninnikov, T. Heine, and R. Friedrich, Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation Front cover article. Nano Letters 24, 3874 (2024). DOI: 10.1021/acs.nanolett.3c04777 |
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| 26. | S. Divilov, H. Eckert, D. Hicks, C. Oses, C. Toher, R. Friedrich, M. Esters, M. J. Mehl, A. C. Zettel, Y. Lederer, E. Zurek, J.-P. Maria, D. W. Brenner, X. Campilongo, S. Filipovic, W. G. Fahrenholtz, C. J. Ryan, C. M. DeSalle, R. J. Crealese, D. E. Wolfe, A. Calzolari, and S. Curtarolo, Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery Nature 625, 66 (2024). DOI: 10.1038/s41586-023-06786-y |
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| 25. | R. Friedrich and S. Curtarolo, AFLOW-CCE for the thermodynamics of ionic materials This paper is part of the JCP Festschrift for John Perdew. The Journal of Chemical Physics 160, 042501 (2024). DOI: 10.1063/5.0184917 |
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| 24. | S. Divilov, H. Eckert, C. Toher, R. Friedrich, A. C. Zettel, D. W. Brenner, W. G. Fahrenholtz, D. E. Wolfe, E. Zurek, J.-P. Maria, N. Hotz, X. Campilongo, and S. Curtarolo, A priori procedure to establish spinodal decomposition in alloys Acta Materialia 266, 119667 (2024). DOI: 10.1016/j.actamat.2024.119667 |
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| 2023 | ||||||
| 23. | T. Barnowsky, A. V. Krasheninnikov, and R. Friedrich, A New Group of Two-Dimensional Non-van der Waals Materials with Ultra Low Exfoliation Energies Advanced Electronic Materials 9, 2201112 (2023). DOI: 10.1002/aelm.202201112 |
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| 22. | C. Oses, M. Esters, D. Hicks, S. Divilov, H. Eckert, R. Friedrich, M. J. Mehl, A. Smolyanyuk, X. Campilongo, A. van de Walle, J Schroers, A.G. Kusne, I. Takeuchi, E. Zurek, M. Buongiorno Nardelli, M. Fornari, Y. Lederer, O. Levy, C. Toher, and S. Curtarolo, aflow++: a C++ framework for autonomous materials design Editor’s choice paper Computational Materials Science 217, 111889 (2023). DOI: 10.1016/j.commatsci.2022.111889 |
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| 21. | M. Esters, C. Oses, S. Divilov, H. Eckert, R. Friedrich, D. Hicks, M. J. Mehl, F. Rose, A. Smolyanyuk, A. Calzolari, X. Campilongo, C. Toher, and S. Curtarolo, aflow.org: a web ecosystem of databases, software and tools Computational Materials Science 216, 111808 (2023). DOI: 10.1016/j.commatsci.2022.111808 |
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| 2022 | ||||||
| 20. | A. P. Balan, A. B. Puthirath, S. Roy, G. Costin, E. F. Oliveira, M. A. S. R. Saadi, V. Sreepal, R. Friedrich, P. Serles, A. Biswas, S. A. Iyengar, N. Chakingal, S. Bhattacharyya, S. K. Saju, S. C. Pardo, L. M. Sassi, T. Filleter, A. Krasheninnikov, D. S. Galvao, R. Vajtai, R. R. Nair, and P. M. Ajayan, Non-van der Waals quasi-2D materials; Recent Advances in Synthesis, Emergent Properties, and Applications Materials Today 58, 164 (2022). DOI: 10.1016/j.mattod.2022.07.007 |
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| 19. | R. Friedrich, M. Ghorbani-Asl, S. Curtarolo, and A. V. Krasheninnikov, Data-Driven Quest for Two-Dimensional Non-van der Waals Materials Nano Letters 22, 989 (2022). DOI: 10.1021/acs.nanolett.1c03841 |
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| 2021 | ||||||
| 18. | M. J. Mehl, M. Ronquillo, D. Hicks, M. Esters, C. Oses, R. Friedrich, A. Smolyanyuk, E. Gossett, D. Finkenstadt, and S. Curtarolo, Tin-pest problem as a test of density functionals using high-throughput calculations Physical Review Materials 5, 083608 (2021). DOI: 10.1103/PhysRevMaterials.5.083608 |
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| 17. | R. Friedrich, M. Esters, C. Oses, S. Ki, M. J. Brenner, D. Hicks, M. J. Mehl, C. Toher, and S. Curtarolo, Automated coordination corrected enthalpies with AFLOW-CCE Physical Review Materials 5, 043803 (2021). DOI: 10.1103/PhysRevMaterials.5.043803 |
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| 2019 | ||||||
| 16. | R. Friedrich, D. Usanmaz, C. Oses, A. Supka, M. Fornari, M. Buongiorno Nardelli, C. Toher, and S. Curtarolo, Coordination corrected ab initio formation enthalpies Nature Partner Journal Computational Materials 5, 59 (2019). DOI: 10.1038/s41524-019-0192-1 |
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| 2018 | ||||||
| 15. | D. Usanmaz, P. Nath, C. Toher, J. J. Plata, R. Friedrich, M. Fornari, M. Buongiorno Nardelli, and S. Curtarolo, Spinodal Superlattices of Topological Insulators Chemistry of Materials 30, 2331 (2018). DOI: 10.1021/acs.chemmater.7b05299 |
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| 2017 | ||||||
| 14. | R. Friedrich, V. Caciuc, B. Zimmermann, G. Bihlmayer, N. Atodiresei, and S. Blügel, Creating anisotropic spin-split surface states in momentum space by molecular adsorption Physical Review B 96, 085403 (2017). DOI: 10.1103/PhysRevB.96.085403 |
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| 13. | V. Heß, R. Friedrich, F. Matthes, V. Caciuc, N. Atodiresei, D. E. Bürgler, S. Blügel, and C. M. Schneider, Magnetic subunits within a single molecule-surface hybrid New Journal of Physics 19, 053016 (2017). DOI: 10.1088/1367-2630/aa6ece |
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| 12. | R. Friedrich, V. Caciuc, G. Bihlmayer, N. Atodiresei, and S. Blügel, Designing the Rashba spin texture by adsorption of inorganic molecules New Journal of Physics 19, 043017 (2017). DOI: 10.1088/1367-2630/aa64a1 |
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| 11. | T. Esat, R. Friedrich, F. Matthes, V. Caciuc, N. Atodiresei, S. Blügel, D. E. Bürgler, F. S. Tautz, and C. M. Schneider, Quantum interference effects in molecular spin hybrids Physical Review B 95, 094409 (2017). DOI: 10.1103/PhysRevB.95.094409 |
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| 2016 | ||||||
| 10. | R. Friedrich, Ab initio investigation of hybrid molecular-metallic interfaces as a tool to design surface magnetic properties for molecular spintronics Schriften des Forschungszentrums Jülich, Key Technologies, Volume 138 (2016), ISBN 978-3-95806-194-1 |
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| 9. | R. Friedrich, V. Caciuc, N. Atodiresei, and S. Blügel, Exchange interactions of magnetic surfaces below two-dimensional materials Physical Review B Rapid Communication 93, 220406(R) (2016). DOI: 10.1103/PhysRevB.93.220406 |
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| 2015 | ||||||
| 8. | R. Friedrich, V. Caciuc, N. Atodiresei, and S. Blügel, Molecular induced skyhook effect for magnetic interlayer softening Physical Review B 92, 195407 (2015). DOI: 10.1103/PhysRevB.92.195407 |
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| 7. | R. Friedrich, V. Caciuc, N. S. Kiselev, N. Atodiresei, and S. Blügel, Chemically functionalized magnetic exchange interactions of hybrid organic-ferromagnetic metal interfaces Physical Review B 91, 115432 (2015). DOI: 10.1103/PhysRevB.91.115432 |
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| 2013 | ||||||
| 6. | R. Friedrich, B. Kersting, and J. Kortus, Fermi level engineering in organic semiconductors for controlled manufacturing of charge and spin transfer materials Physical Review B 88, 155327 (2013). DOI: 10.1103/PhysRevB.88.155327 |
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| 5. | R. Friedrich, S. Lindner, T. Hahn, C. Loose, S. Liebing, M. Knupfer, and J. Kortus, Systematic theoretical investigation of the phthalocyanine based dimer: MnPcδ+/F16CoPcδ− Physical Review B 87, 115423 (2013). DOI: 10.1103/PhysRevB.87.115423 |
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| 4. | S. Lindner, B. Mahns, A. König, F. Roth, M. Knupfer, R. Friedrich, T. Hahn, and J. Kortus, Phthalocyanine dimers in a blend: Spectroscopic and theoretical studies of MnPcδ+/F16CoPcδ− The Journal of Chemical Physics 138, 024707 (2013). DOI: 10.1063/1.4774060 |
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| 2012 | ||||||
| 3. | S. Lindner, M. Knupfer, R. Friedrich, T. Hahn, and J. Kortus, Hybrid States and Charge Transfer at a Phthalocyanine Heterojunction: MnPcδ+/F16CoPcδ− Editors’ Suggestion Physical Review Letters 109, 027601 (2012). DOI: 10.1103/PhysRevLett.109.027601 |
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| 2. | R. Friedrich, T. Hahn, J. Kortus, M. Fronk, F. Haidu, G. Salvan, D. R. T. Zahn, M. Schlesinger, M. Mehring, F. Roth, B. Mahns, and M. Knupfer, Electronic states and the influence of oxygen addition on the optical absorption behaviour of manganese phthalocyanine The Journal of Chemical Physics 136, 064704 (2012). DOI: 10.1063/1.3683253 |
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| 2011 | ||||||
| 1. | M. Grobosch, B. Mahns, C. Loose, R. Friedrich, C. Schmidt, J. Kortus, and M. Knupfer, Identification of the electronic states of manganese phthalocyanine close to the Fermi level Chemical Physics Letters 505, 122 (2011). DOI: 10.1016/j.cplett.2011.02.039 |
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