Tobias Klöffel-Hüsam

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Erlangen National High Performance Computing Center (NHR@FAU) Interdisziplinäres Zentrum für Molekulare Materialien

Publications

(8)

Understanding the mechanism of the sulfur mustard hydrolysis reaction on the atomistic level from experiment and first-principles simulations (2023) Klöffel T, Gordon D, Popiel S, Nawala J, Meyer B, Rodziewicz P Journal article Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals (2022) Mandal S, Kar R, Klöffel T, Meyer B, Nair NN Journal article Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers (2021) Klöffel T, Mathias G, Meyer B Journal article Adsorption of sulfur mustard on clean and water-saturated ZnO(101¯0): Structural diversity from first-principles calculations (2021) Klöffel T, Kozlowska M, Popiel S, Meyer B, Rodziewicz P Journal article Formation and Stability of Phenylphosphonic Acid Monolayers on ZnO: Comparison of In Situ and Ex Situ SAM Preparation (2016) Ostapenko A, Klöffel T, Meyer B, Witte G Journal article Etching of Crystalline ZnO Surfaces upon Phosphonic Acid Adsorption: Guidelines for the Realization of Well-Engineered Functional Self-Assembled Monolayers (2016) Ostapenko A, Klöffel T, Eussner J, Harms K, Dehnen S, Meyer B, Witte G Journal article Impact of twin boundaries on bulk elastic constants: Density-functional theory data for Young's modulus of Ag (2015) Klöffel T, Bitzek E, Meyer B Journal article Nanotwinned silver nanowires: Structure and mechanical properties (2015) Kobler A, Beuth T, Klöffel T, Prang R, Moosmann M, Seherer T, Walheim S, et al. Journal article