Prof. Dr. Thomas D. Kühne

Accurate sampling with noisy forces from approximate computing (2020) Rengaraj V, Lass M, Plessl C, Kühne TD Journal article Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe2 surfaces (2020) Elizabeth A, Sahoo SK, Lockhorn D, Timmer A, Aghdassi N, Zacharias H, Kühne TD, et al. Journal article Tumbling with a limp: Local asymmetry in water's hydrogen bond network and its consequences (2020) Elgabarty H, Kühne TD Journal article, Review article CP2K: An electronic structure and molecular dynamics software package -Quickstep: Efficient and accurate electronic structure calculations (2020) Kühne TD, Iannuzzi M, Del Ben M, Rybkin VV, Seewald P, Stein F, Laino T, et al. Journal article, Review article Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells (2020) Schoeppe P, Schoenherr S, Chugh M, Mirhosseini H, Jackson P, Wuerz R, Ritzer M, et al. Journal article Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction (2020) Gujt J, Zimmer P, Zysk F, Suess V, Felser C, Bauer M, Kühne TD Journal article Modulation of nearly free electron states in hydroxyl-functionalized MXenes: A first-principles study (2020) Zhou J, Khazaei M, Ranjbar A, Wang V, Kühne TD, Ohno K, Kawazoe Y, Liang Y Journal article Energy transfer within the hydrogen bonding network of water following resonant terahertz excitation (2020) Elgabarty H, Kampfrath T, Bonthuis DJ, Balos V, Kaliannan NK, Loche P, Netz RR, et al. Journal article Vibrational dynamics in lead halide hybrid perovskites investigated by Raman spectroscopy (2020) Ibaceta-Jana J, Muydinov R, Rosado P, Mirhosseini H, Chugh M, Nazarenko O, Dirin DN, et al. Journal article Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface (2020) Kaliannan NK, Aristizabal AH, Wiebeler H, Zysk F, Ohto T, Nagata Y, Kühne TD Journal article