Eva Rauls

Professor

Eva Rauls

Kontakt

Telefon: 51834514

E-post: eva.rauls@uis.no

Rom: KE E-537

Sted: Stavanger

Organisasjonsenhet

Det teknisk- naturvitenskapelige fakultet

Institutt for matematikk og fysikk

Kort om meg

Jeg er professor i Teoretisk Materialfysikk.  Før jeg kom til UiS, har jeg jobbet for det meste forskjellige plasser i Tyskland og Danmark, hvor jeg har vært Feodor-Lynen Fellow of the Humboldt Society.  

Min akademisk bakgrunn ligger i teoretisk overflate- og defektfysikk, og i de siste årene var det mest fokus på overflate-adsorberte molekyler med hensyn til materialdesign og struktur--funksjons korrelasjon. 

I UiS ble det mye fokus på å løfte de pedagogiske kunnskaper, og som størstendels sertifiserte kurs jeg har deltatt i kan det nevnes

  • Mentoring for and with new staff - Nyti (50 hours)
  • Basic course in higher education pedagogies (150 hours)
  • PhD-supervisory qualification program (100 hours)
  • Artificial intelligence in higher education (25 hours)
  • various courses about digital tools in education (2-20 hours)

Dette forsker jeg på

Jeg bruker beregningsmetoder på atomært nivå for å undersøke slike (makro-)molekylære adsorbater, katalytiske og elektroniske egenskaper til enkeltmolekyler eller selvorganiserte molekylstrukturer på ulike overflater – for tiden hovedsakelig metaller eller grafittoverflater. Metodene inkluderer både første prinsipper og (semi-)empiriske metoder. 

I min gruppe har vi et nært samarbeid med kjemiavdelingen om forskningsprosjekter knyttet til klima og energiomstilling. Disse prosjektene inkluderer studier og funksjonell design av supramolekylære og hybride materialer for gassseparasjon med spesielt fokus på CO2-lagring.  Materialene som vi beregner blir både syntetisert og karakterisert i kjemien. 

Akademisk bakgrunn

  • Diploma in theoretical physics, University of Paderborn, Germany (2000)
  • Dr. rer. nat. in theoretical physics, University of Paderborn, Germany (2003)
  • Feodor-Lynen-fellowship of the Alexander-von-Humboldt-Society, Aarhus (iNano), Denmark (2004-2006)
  • Post-doc and leader of independent research group “Computational materials science”, University of Paderborn, Germany (2009-2016)
  • Substitute professor of theortical physics, University of Osnabrück, (2013-2015)
  • Full professor, University of Stavanger (since 2017)

Publikasjoner

Vitenskapelige publikasjoner

Venkatesh Bollabathini; Quoc Duy Ho; Eva Rauls; Kåre Bredeli Jørgensen (2026) Synthesis and Characterization of Solvent-Complexes of per-Hydroxy Pillar[5]arene and Pillar[5]quinone: Experimental and Computational Insights. I: ACS Omega. Online ISSN 2470-1343. Volum 11. s.16088-16097. DOI: 10.1021/acsomega.5c10756

Konstantinos Alektoridis; Eva Rauls (2026) CO2 Adsorption Capabilities of Functionalized Dyn[4]arenes. I: ACS Omega. Online ISSN 2470-1343. DOI: 10.1021/acsomega.5c08612

John Senith Ravishan Fernando; Venkatesh Bollabathini; Quoc Duy Ho; Kåre Bredeli Jørgensen; Eva Rauls; Sachin Maruti Chavan (2025) Adaptive per-hydroxy pillar[5]arene-based frameworks for selective CO2 adsorption under humid conditions. I: Microporous and Mesoporous Materials. ISSN 1387-1811. Volum 403. DOI: 10.1016/j.micromeso.2025.114022

Quoc Duy Ho; Eva Rauls (2023) Computational Study of the Adsorption of Small Gas Molecules on Pillar[5]arenes. I: ChemistrySelect. Online ISSN 2365-6549. Volum 8. DOI: 10.1002/slct.202204215

Quoc Duy Ho; Eva Rauls (2023) Ab initio study: Investigating the adsorption behaviors of polarized greenhouse gas molecules on pillar[5]arenes. I: Materials Today Communications. Online ISSN 2352-4928. Volum 36. DOI: 10.1016/j.mtcomm.2023.106875

Vitalii Stetsovych; Simon Feigl; Radovan Vranik; Bareld Wit; Eva Rauls; Jindrich Nejedly; Michal Samal; Ivo Stary; Stefan Müllegger (2022) Towards dielectric relaxation at a single molecule scale. I: Scientific Reports. Online ISSN 2045-2322. Volum 12. DOI: 10.1038/s41598-022-06684-9

Diana Slawig; Markus Gruschwitz; Uwe Gerstmann; Eva Rauls; Christoph Tegenkamp (2021) Adsorption and reaction of PbPc on hydrogenated epitaxial graphene. I: Journal of Physical Chemistry C. ISSN 1932-7447. Volum 125. s.20087-20093. DOI: 10.1021/acs.jpcc.1c06320

Nhung T. T. Nguyen; T. Sollfrank; Christoph Tegenkamp; Eva Rauls; Uwe Gerstmann (2021) Impact of screening and relaxation onto weakly coupled two-dimensional heterostructures. I: Physical review B (PRB). ISSN 2469-9950. Volum 103. DOI: 10.1103/PhysRevB.103.L201408

H. J. von Bardeleben; Eva Rauls; Uwe Gerstmann (2020) Carbon vacancy-related centers in 3C-silicon carbide: Negative-U properties and structural transformation. I: Physical review B (PRB). ISSN 2469-9950. Volum 101. DOI: 10.1103/PhysRevB.101.184108

Mateusz Paszkiewicz; Timur Biktagirov; Hazem Aldahhak; Francesco Allegretti; Eva Rauls; Wolfgang Schoefberger; Wolf Gero Schmidt; Johannes V. Barth; Uwe Gerstmann; Florian Klappenberger (2018) Unraveling the Oxidation and Spin State of Mn−Corrole through X‐ray Spectroscopy and Quantum Chemical Analysis. I: The Journal of Physical Chemistry Letters. Online ISSN 1948-7185. Volum 9. s.6412-6420. DOI: 10.1021/acs.jpclett.8b02525

H. Aldahhak; M. Paszkiewicz; Eva Rauls; F. Allegretti; S. Tebi; A. C. Papageorgiou; Y.Q. Zhang; L Zhang; T. Lin; T. Paintner; R. Koch; W.G. Schmidt; J.V. Barth; W. Schöfberger; S. Müllegger; F. Klappenberger; U. Gerstmann (2018) Identifying on-surface site-selective chemical conversions by theory-aided NEXAFS spectroscopy: The case of free-base corroles on Ag(111). I: Chemistry - A European Journal. ISSN 0947-6539. Volum 24. s.6787-6797. DOI: 10.1002/chem.201705921

Formidling

Quoc Duy Ho; Eva Rauls (2025) Pillararenes for efficient CO₂ capture: A DFT study of adsorption mechanisms. International Conference on Carbon Dioxide Utilization 22nd; 2025-06-23 - 2025-06-27. https://hdl.handle.net/11250/4238172

Eva Rauls (2024) Effects of Functional Groups on the Adsorption of CO2 in Pillar[5]arenes. the 3rd French Supramolecular Chemistry Congress; 2024-04-15 - 2024-04-17. https://hdl.handle.net/11250/4428407

Venkatesh Bollabathini; Quoc Duy Ho; Eva Rauls; Sachin Maruti Chavan; Kåre Bredeli Jørgensen (2024) Pillararenes – Cage Molecules with a Potential for CO2 Capture. 1st LUCES global action meeting; 2024-04-18 - 2024-04-19. https://hdl.handle.net/11250/3687805

Quoc Duy Ho; Eva Rauls (2024) Effects of Functional Groups on the Adsorption of CO2 in Pillar[5]arenes. 3rd French Supramolecular Chemistry Congress; 2024-05-15 - 2024-05-17. https://hdl.handle.net/11250/5066820

Eva Rauls; Uwe Gerstmann; Christoph Tegenkamp; Nhung Thi Trang Nguyen (2023) Impact of screening and relaxation on weakly coupled 2D heterostructures: implications for molecular spin-coupling. DPG-Tagung der Deutschen Physikalischen Gesellschaft; 2023-03-26 - 2023-03-31. https://hdl.handle.net/11250/3512531

Quoc Duy Ho; Eva Rauls (2023) Pillar[n]arenes for separation of small gas molecules. VCTP48; 2023-07-30 - 2023-08-04. https://hdl.handle.net/11250/3365339

Eva Rauls; Uwe Gerstmann; Christoph Tegenkamp; Nhung Thi Trang Nguyen (2023) Impact of screening and relaxation on weakly coupled 2D heterostructures: Implications for switchable molecular spin-coupling. VCTP48; 2023-07-30 - 2023-08-04. https://hdl.handle.net/11250/4137096

Venkatesh Bollabathini; Quoc Duy Ho; Eva Rauls; Sachin Maruti Chavan; Kåre Bredeli Jørgensen (2023) Pillararenes - Cage Molecules with a Potential for CO2 Capture. OKV36 Organisk kjemisk vintermøte; 2023-01-05 - 2023-01-08. https://hdl.handle.net/11250/4572321

Eva Rauls (2022) Atomistic Modelling at IMF. Modellering -- Fakultetsseminar UiS; 2022-11-26. https://hdl.handle.net/11250/3453114

Eva Rauls (2019) Bias-controlled doping of graphene with ice: a theoretical study. European Graphene Forum 2019; 2019-10-22 - 2019-10-25. https://hdl.handle.net/11250/3448510

Eva Rauls (2019) On-surface site-selective chemical conversions - macromolecules on Ag(111). Trends in Nanotechnology, TNT 2019; 2019-09-30 - 2019-10-04. https://hdl.handle.net/11250/4367675

Eva Rauls; Uwe Gerstmann (2019) Thin ice under pressure on graphene - a theoretical NMR study. European Graphene Forum 2019; 2019-10-22 - 2019-10-25. https://hdl.handle.net/11250/3506742

Eva Rauls (2018) Adsorption of Co- and Cu-Phthalocyanines on Au(100) surfaces. ECOSS 34, European Conference on Surface Science; 2018-08-26 - 2018-08-31. https://hdl.handle.net/11250/4232200

Kilde: Nasjonalt vitenarkiv