Universität Paderborn

Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms (2022) Schade R, Kenter T, Elgabarty H, Lass M, Schuett O, Lazzaro A, Pabst H, et al. Journal article The Structure of Water in Silica Mesopores – Influence of the Pore Wall Polarity (2022) Weinberger C, Zysk F, Hartmann M, Kaliannan NK, Keil W, Kühne TD, Tiemann M Journal article Parallel quantum chemistry on noisy intermediate-scale quantum computers (2022) Schade R, Bauer C, Tamoev K, Mazur L, Plessl C, Kühne TD Journal article Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid (2022) Lepre E, Heske J, Nowakowski M, Scoppola E, Zizak I, Heil T, Kühne TD, et al. Journal article Clinching of Aluminum Materials – Methods for the Continuous Characterization of Process, Microstructure and Properties (2022) Kupfer R, Köhler D, Römisch D, Wituschek S, Ewenz L, Kalich J, Weiß D, et al. Journal article, other Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst (2022) Da Silva MAR, Silva IF, Xue Q, Lo BTW, Tarakina N, Nunes BN, Adler P, et al. Journal article Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators (2022) Khazaei M, Ranjbar A, Kang YG, Liang Y, Khaledialidusti R, Bae S, Raebiger H, et al. Journal article Bringing Water to the Fields - A Code Generation Pipeline for SWE Simulations on FPGAs (2022) Alt C, Opdenhövel JO, Plessl C, Kenter T, Hönig J, Köstler H Conference contribution, Abstract of a poster Review on mechanical joining by plastic deformation (2022) Meschut G, Merklein M, Brosius A, Drummer D, Fratini L, Füssel U, Gude M, et al. Journal article, Review article A mesoionic carbene complex of manganese in five oxidation states (2022) Wittwer B, Dickmann N, Berg S, Leitner D, Tesi L, Hunger D, Gratzl R, et al. Journal article