Suchergebnisse

Velasco Vélez, J.: Soft X-ray Absorption Spectroscopy at the Solid-Gas Interface. In: Ambient Pressure Spectroscopy in Complex Chemical Environments, S. 93 - 118 (Hg. Head, A. R.; Nemsak, S.; Eren, B.). American Chemical Society, Washington, DC (2021)

Wengert, S.; Kunkel, C.; Margraf, J.; Reuter, K.: Accelerating molecular materials discovery with machine-learning. In: High-Performance Computing and Data Science in the Max Planck Society, S. 40 - 41. Max Planck Computing and Data Facility, Garching (2021)

Bungartz, H.-J.; Carbogno, C.; Galgon, M.; Huckle, T.; Köcher, S.; Kowalski, H.-H.; Kus, P.; Lang, B.; Lederer, H.; Manin, V. et al.; Marek, A.; Reuter, K.; Rippl, M.; Scheffler, M.; Scheurer, C.: ELPA: A parallel solver for the generalized eigenvalue problem. In: Parallel Computing: Technology Trends, Bd. 36, S. 647 - 668. IOS Press, Amsterdam (2020)

Draxl, C.; Scheffler, M.: Big-Data-Driven Materials Science and its FAIR Data Infrastructure. In: Handbook of Materials Modeling, S. 49 - 73 (Hg. Andreoni, W.; Yip, S.). Springer, Cham (2020)

Freund, H.-J.; Heyde, M.; Kuhlenbeck, H.; Nilius, N.; Risse, T.; Schauermann, S.; Schmidt, T.; Shaikhutdinov, S. K.; Sterrer, M.: Thin Oxide Films as Model Systems for Heterogeneous Catalysts. In: Springer Handbook of Surface Science, S. 267 - 328 (Hg. Rocca, M.; Rahman, T. S.; Vattuone, L.). Springer, Cham (2020)

Merz, T.; Bierhance, G.; Flach, E.-C.; Kats, D.; Usvyat, D.; Schütz, M.: Description of excited states in photochemistry with theoretical methods. In: Chemical photocatalysis, S. 379 - 414 (Hg. König, B.). De Gruyter, Berlin (2020)

Reuter, K.; Metiu, H.: A Decade of Computational Surface Catalysis. In: Handbook of Materials Modeling, 2. Ed. Aufl., S. 1309 - 1319 (Hg. Andreoni, W.; Yip, S.). Springer, Cham (2020)

Sauceda, H. E.; Chmiela, S.; Poltavsky, I.; Müller, K.-R.; Tkatchenko, A.: Construction of Machine Learned Force Fields with Quantum Chemical Accuracy: Applications and Chemical Insights. In: Machine Learning Meets Quantum Physics, S. 277 - 307 (Hg. Schütt, K. T.; Chmiela, S.; von Lilienfeld, O. A.; Tkatchenko, A.; Tsuda, K. et al.). Springer, Cham (2020)

Friedrich, B.; Hoffmann, D.: Clara Haber, nee Immerwahr: In and out of her element. In: Women in their Element, S. 178 - 193 (Hg. Lykknes, A.). World Scientific, Singapore (2019)

Jacobsen, K. W.; Scheffler, M.: The role of data and artificial intelligence. In: Research needs towards sustainable production of fuels and chemicals, S. 79 - 90. Energy-X, Grenoble (2019)

Koper, M.; Roldan Cuenya, B.: Electrochemical CO₂ reduction. In: Research needs towards sustainable production of fuels and chemicals, S. 19 - 27. Energy-X, Grenoble (2019)

Norskov, J. K.; Centi, G.; Chorkendorff, I.; Schlögl, R.; Weckhuysen, B.; Marin, G.: Introduction. In: Research needs towards sustainable production of fuels and chemicals, S. 1 - 4. Energy-X, Grenoble (2019)

Büchner, C.; Heyde, M.; Freund, H.-J.: Transfer of 2D Silica Films. In: Encyclopedia of Interfacial Chemistry, S. 360 - 366 (Hg. Wandelt, K.). Elsevier, Amsterdam (2018)

Ertl, G.: Heterogeneous Catalysis: Where Are We? In: Catalysis in Chemistry and Biology: Proceedings of the 24th International Solvay Conference on Chemistry, S. 61 - 62 (Hg. Wüthrich, K.; Grubbs, R. H.; Visart de Bocarmé, T.; De Wit, A.). World Scientific, Singapore (2018)

Freund, H.-J.: Structure-Reactivity Relations Through Charge Control at the Atomic Level in Heterogeneous Catalysis. In: Catalysis in Chemistry and Biology: Proceedings of the 24th International Solvay Conference on Chemistry, S. 85 - 90 (Hg. Wüthrich, K.; Grubbs, R. H.; Visart de Bocarmé, T.; De Wit, A.). World Scientific, Singapore (2018)

Haß, E.-C.; Knicker, K.; Sydow, U.; Schulz, M.; Plath, P. J.: Battery—Determination and Forecast via Synergetics. In: Complexity and Synergetics, S. 139 - 153 (Hg. Müller, S. C.; Plath, P. J.; Radons, G.; Fuchs, A.). Springer, Cham (2018)

Jin, F.; Wang, Y.: Catalytic Hydrothermal Reactions for Small Molecules Activation. In: Hydrothermal Reduction of Carbon Dioxide to Low-Carbon Fuels, S. 23 - 36 (Hg. Jin, F.). CRC Press, Boca Raton, Fla. (2018)

Klyushin, A.; Arrigo, R.; Pfeifer, V.; Jones, T.; Velasco Velez, J.; Knop-Gericke, A.: Catalyst Electronic Surface Structure Under Gas and Liquid Environments. In: Encyclopedia of Interfacial Chemistry, S. 615 - 631 (Hg. Wandelt, K.). Elsevier, Amsterdam (2018)

Kumagai, T.; Okuyama, H.: Direct Observation of Hydrogen-Atom Relay Reactions Using Low-temperature Scanning Tunneling Microscopy. In: Encyclopedia of Interfacial Chemistry, S. 64 - 73 (Hg. Wandelt, K.). Elsevier, Amsterdam (2018)

Kumagai, T.; Okuyama, H.: Direct Observation of Hydrogen-Bond Exchange Reaction in a Water Dimer Using Low-Temperature Scanning Tunneling Microscopy. In: Encyclopedia of Interfacial Chemistry, S. 74 - 80 (Hg. Wandelt, K.). Elsevier, Amsterdam (2018)