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Ausgewählte Publikationen

• 2026 Roadmap on compositionally complex and high entropy materials for energy applications
  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, M. Lepple
  J. Phys. Energy (2026)
• Production of Defects in Two-Dimensional Materials Under Ion and Electron Irradiation: Insights from Advanced First-Principles Calculations
  S. Kretschmer, M. Ghorbani-Asl, R. Friedrich, X. Zhang, T. Barnowsky, F. Davies, M. Jain, P. Santra, A. V. Krasheninnikov
  In: High Performance Computing in Science and Engineering '23, T. Ludwig, P. Bastian, M. M. Resch (Eds.), Springer Nature Switzerland (2026) 173-184

• AFLOW4: Heading Toward Disorder
  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, S. Curtarolo
  High Entropy Alloys & Materials 3 (2025) 178–187
• Weak Spots in Semiconductor Nanoplatelets: From Isolated Defects Toward Directed Nanoscale Assemblies
  V. Shamraienko, R. Friedrich, S. Subakti, A. Lubk, A. V. Krasheninnikov, A. Eychmüller
  Small 21 (2025) 2411112

• Heavy Atom Cluster Chains with Strong Spin-Orbit Coupling and Magnetic Cations in Mn[PtBi₆I₁₂]
  M. A. Herz, J.-M. Hübner, J. Sichelschmidt, R. Friedrich, M. Ruck
  Inorg. Chem. 63 (2024) 23867-23876
• Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation
  T. Barnowsky, S. Curtarolo, A. V. Krasheninnikov, T. Heine, R. Friedrich
  Nano Lett. 24 (2024) 3874-3881
• AFLOW-CCE for the thermodynamics of ionic materials
  R. Friedrich, S. Curtarolo
  J. Chem. Phys. 160 (2024) 042501
• A priori procedure to establish spinodal decomposition in alloys
  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, S. Curtarolo
  Acta Materialia 266 (2024) 119667
• Disordered enthalpy-entropy descriptor for high-entropy ceramics discovery
  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. Filipović, W. G. Fahrenholtz, C. J. Ryan, C. M. DeSalle, R. J. Crealese, D. E. Wolfe, A. Calzolari, S. Curtarolo
  Nature 625 (2024) 66-73

• A New Group of 2D Non-van der Waals Materials with Ultra Low Exfoliation Energies
  T. Barnowsky, A. V. Krasheninnikov, R. Friedrich
  Adv. Electron.Mater. 9 (2023) 2201112
• aflow++: A C++ framework for autonomous materials design
  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. B. Nardelli, M. Fornari, Y. Lederer, O. Levy, C. Toher, S. Curtarolo
  Comp. Mat. Science 217 (2023) 111889
• aflow.org: A web ecosystem of databases, software and tools
  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, S. Curtarolo
  Comp. Mat. Science 216 (2023) 111808

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E-Mail: Antje.Voelkel (at) tu-dresden.de


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TU Dresden
Fakultät Chemie und Lebensmittelchemie
Professur für Theoretische Chemie
01062 Dresden


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TU Dresden
Fakultät Chemie und Lebensmittelchemie
Professur für Theoretische Chemie
Bergstraße 66c
01062 Dresden