Publications

Our tremendous output is proof of the excellent research acieved in an interdisciplinary environment. Below, you can either scroll through the complete list of our annually published material, or search for a specific author or term via the free text search to get to know our research strengths. You can also review the publication record of every RC FEMS member via his or her personal member’s page.

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  • 2026
2026
  • article
article2026Tiago F.T. CerqueiraHaichen WangSilvana BottiMiguel Alexandre Lopes Marques

A non-orthogonal representation for materials based on chemical similarity

Tiago F.T. Cerqueira, Haichen Wang, Silvana Botti, Miguel Alexandre Lopes Marques:
npj Computational Materials (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105028512644&doi=10.1038%2Fs41524-025-01916-8&partnerID=40&md5=dabd1425910bf5b28229333d617ca2f2https://dx.doi.org/10.1038/s41524-025-01916-8
2026
  • article
article2026Tiago F.T. CerqueiraHaichen WangSilvana BottiMiguel Alexandre Lopes Marques

A non-orthogonal representation for materials based on chemical similarity

Tiago F.T. Cerqueira, Haichen Wang, Silvana Botti, Miguel Alexandre Lopes Marques:
npj Computational Materials (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105028512644&doi=10.1038%2Fs41524-025-01916-8&partnerID=40&md5=dabd1425910bf5b28229333d617ca2f2https://dx.doi.org/10.1038/s41524-025-01916-8
2026
  • article
article2026Pedro BorlidoFriedhelm BechstedtClaudia RödlSilvana Botti

Ab initio study of elastic, vibrational, and thermal properties of lonsdaleite SixGe1−x alloys

Pedro Borlido, Friedhelm Bechstedt, Claudia Rödl, Silvana Botti:
Physical Review Materials (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105028336305&doi=10.1103%2Fh7wy-1srx&partnerID=40&md5=f6d35cc559cfe1e04854779878f983f7https://dx.doi.org/10.1103/h7wy-1srx
2026
  • article
article2026Akhil HareendranTakuma SatoLeon MüllerAnna RabeKrishnan RaviDongsheng ZhangGerdina Wilma BusserCatalina Leiva-LeroyHeiko WendeHartmut WiggersChristof SchulzAlexander SchneggMartin Muhler

Aerobic Cyclohexane Oxidation Catalyzed by Vanadium-Substituted LaCoO3 Perovskites in the Liquid Phase

Akhil Hareendran, Takuma Sato, Leon Müller, Anna Rabe, Krishnan Ravi, Dongsheng Zhang, Gerdina Wilma Busser, Catalina Leiva-Leroy, Heiko Wende, Hartmut Wiggers, Christof Schulz, Alexander Schnegg, Martin Muhler:
ChemCatChem (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105015205601&doi=10.1002%2Fcctc.202501190&partnerID=40&md5=d80104029652136f5191acee89dac420https://dx.doi.org/10.1002/cctc.202501190
2026
  • article
article2026Gang LiuChristian H. LiebscherPeter SchweizerFrank SteinGerhard Dehm

Atomic scale configuration of incoherent C36 /C15 phase boundary in an off-stoichiometric Laves phase

Gang Liu, Christian H. Liebscher, Peter Schweizer, Frank Stein, Gerhard Dehm:
Acta Materialia (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105022056538&doi=10.1016%2Fj.actamat.2025.121733&partnerID=40&md5=b70864a0a01cfb0fdca92d0649df22dbhttps://dx.doi.org/10.1016/j.actamat.2025.121733
2026
  • article
article2026Nico KawashimaThomas RölleTomáš RauchMichael SeifertSilvana Botti

Computational exploration of energy materials: the Zn–As–P ternary phase diagram

Nico Kawashima, Thomas Rölle, Tomáš Rauch, Michael Seifert, Silvana Botti:
JPhys Materials (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105026859449&doi=10.1088%2F2515-7639%2Fae2ba9&partnerID=40&md5=5c7266c6b57a03d28176aa251eef2afchttps://dx.doi.org/10.1088/2515-7639/ae2ba9
2026
  • article
article2026Markus A. StrickerLars BankoNik SarazinNiklas SiemerJan JanssenLei ZhangJörg NeugebauerAlfred Ludwig

Computationally accelerated experimental materials characterization—drawing inspiration from high-throughput simulation workflows

Markus A. Stricker, Lars Banko, Nik Sarazin, Niklas Siemer, Jan Janssen, Lei Zhang, Jörg Neugebauer, Alfred Ludwig:
npj Computational Materials (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105026860479&doi=10.1038%2Fs41524-025-01919-5&partnerID=40&md5=a4be7d3b5b0a9c54cf2d2cb7b345be91https://dx.doi.org/10.1038/s41524-025-01919-5
2026
  • article
article2026Cleiton Carvalho SilvaRafaella S. SilvaEmerson Mendonça MináMarcelo Ferreira MottaHélio C. MirandaGiovani DalpiazRicardo Reppold MarinhoMarcelo Torres Piza PaesAlisson Kwiatkowski Da SilvaIrina WossackChristian H. Liebscher

Heterogeneously structured Ni-based alloy obtained by wire-arc additive manufacturing overcomes the strength-ductility trade-off

Cleiton Carvalho Silva, Rafaella S. Silva, Emerson Mendonça Miná, Marcelo Ferreira Motta, Hélio C. Miranda, Giovani Dalpiaz, Ricardo Reppold Marinho, Marcelo Torres Piza Paes, Alisson Kwiatkowski Da Silva, Irina Wossack, Christian H. Liebscher:
Journal of Materials Science and Technology (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105015305556&doi=10.1016%2Fj.jmst.2025.08.022&partnerID=40&md5=5d70fdf6e7171bfa69c8c72f6cb24bbfhttps://dx.doi.org/10.1016/j.jmst.2025.08.022
2026
  • article
article2026Sergey R. MeliakovEvgenie A. ZhukovV. V. BelykhK. V. KavokinM. O. NestoklonEvgeniya V. KulebyakinaMikhail L. SkorikovElena V. KolobkovaMaria S. KuznetsovaManfred BayerDmitri R. Yakovlev

Hyperfine interaction of electrons confined in CsPbI3 nanocrystals with nuclear spin fluctuations

Sergey R. Meliakov, Evgenie A. Zhukov, V. V. Belykh, K. V. Kavokin, M. O. Nestoklon, Evgeniya V. Kulebyakina, Mikhail L. Skorikov, Elena V. Kolobkova, Maria S. Kuznetsova, Manfred Bayer, Dmitri R. Yakovlev:
Physical Review B (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105028526787&doi=10.1103%2Fs33c-m6hz&partnerID=40&md5=bc7aec82bec3269160305fed4b981a06https://dx.doi.org/10.1103/s33c-m6hz
2026
  • article
article2026Stephen Robinson-EnebeliChristof SchulzKyle J. Daun

Investigating the apparent anomalous cooling of soot during laser-induced incandescence experiments

Stephen Robinson-Enebeli, Christof Schulz, Kyle J. Daun:
Applied Physics B: Lasers and Optics (2026)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-105025196013&doi=10.1007%2Fs00340-025-08550-8&partnerID=40&md5=ff57d9557595e9fdf33ea3474ac01061https://dx.doi.org/10.1007/s00340-025-08550-8