Prof. Dr. Thomas D. Kühne

Equation of state of atomic solid hydrogen by stochastic many-body wave function methods (2020) Azadi S, Booth GH, Kühne TD Journal article A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices (2020) Yu M, Chandrasekhar N, Raghupathy RKM, Ly KH, Zhang H, Dmitrieva E, Liang C, et al. Journal article Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films (2020) Elizabeth A, Conradi H, Sahoo SK, Kodalle T, Kaufmann CA, Kühne TD, Mirhosseini H, et al. Journal article A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K (2020) Lass M, Schade R, Kühne TD, Plessl C Conference contribution Electrochemical N2 reduction to ammonia using single Au/Fe atoms supported on nitrogen-doped porous carbon (2020) Sahoo SK, Heske J, Antonietti M, Qin Q, Oschatz M, Kühne TD Journal article Insight from energy decomposition analysis on a hydrogen-bond-mediated mechanism for on-water catalysis (2020) Salem MA, Kühne TD Journal article Disordered crystals from first principles II: Transport coefficients (2020) Kühne TD, Heske J, Prodan E Journal article Analysis of sequence-defined oligomers through Advanced Polymer Chromatography™ - mass spectrometry hyphenation (2020) Berg MT, Mertens C, Du Prez F, Kühne TD, Herberg A, Kuckling D Journal article “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface (2020) Ojha D, Kühne TD Journal article Efficient Ab-Initio Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGAs (2020) Ramaswami A, Kenter T, Kühne TD, Plessl C Conference contribution