A. Ranjbar, H. Mirhosseini, and T. D. Kühne, “On topological materials as photocatalysts for water splitting by visible light,”10.1088/2515-7639/ac363d__Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015001, 2021, doi:10.1088/2515-7639/ac363d .

J. J. Heske et al., “When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C<sub>2</sub>N materials,”10.1039/d1ta05122a__Journal of Materials Chemistry A, vol. 9, no. 39, pp. 22563–22572, 2021, doi:10.1039/d1ta05122a .

D. Ojha and T. Kühne, “Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy,”10.1038/s41598-021-81635-4__Scientific Reports, vol. 11, no. 1, Art. no. 2456, 2021, doi:10.1038/s41598-021-81635-4 .

S. Pylaeva, P. Marx, G. Singh, T. Kühne, M. Roemelt, and H. Elgabarty, “Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids,”10.1021/acs.jpca.0c11296__The Journal of Physical Chemistry A, vol. 125, no. 3, pp. 867–874, 2021, doi:10.1021/acs.jpca.0c11296 .

J. Kessler, F. Calcavecchia, and T. Kühne, “Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo,”10.1002/adts.202000269__Advanced Theory and Simulations, vol. 4, no. 4, Art. no. 2000269, 2021, doi:10.1002/adts.202000269 .

A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,”10.1063/5.0037319__The Journal of Chemical Physics, vol. 154, no. 7, Art. no. 074107, 2021, doi:10.1063/5.0037319 .

M. Chugh, M. Jain, G. Wang, A. S. Nia, H. Mirhosseini, and T. Kühne, “A combinatorial study of electrochemical anion intercalation into graphite,”10.1088/2053-1591/ac1965__Materials Research Express, vol. 8, no. 8, Art. no. 085502, 2021, doi:10.1088/2053-1591/ac1965 .

P. Partovi-Azar and T. Kühne, “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase,”10.3390/mi12101212__Micromachines, vol. 12, no. 10, Art. no. 1212, 2021, doi:10.3390/mi12101212 .

S. K. Sahoo et al., “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials,”10.1021/acs.jpcc.1c03947__The Journal of Physical Chemistry C, vol. 125, no. 25, pp. 13749–13758, 2021, doi:10.1021/acs.jpcc.1c03947 .

H. Mirhosseini, H. Tahmasbi, S. R. Kuchana, A. Ghasemi, and T. Kühne, “An automated approach for developing neural network interatomic potentials with FLAME,”10.1016/j.commatsci.2021.110567__Computational Materials Science, vol. 197, Art. no. 110567, 2021, doi:10.1016/j.commatsci.2021.110567 .

V. Balos et al., “Ultrafast solvent-to-solvent and solvent-to-solute energy transfer driven by single-cycle THz electric fields,”10.1117/12.2594143__in Terahertz Emitters, Receivers, and Applications XII, 2021, doi:10.1117/12.2594143 .

M. Wang, A. Ranjbar, T. Kühne, R. V. Belosludov, Y. Kawazoe, and Y. Liang, “A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states,”10.1016/j.carbon.2021.05.026__Carbon, vol. 181, pp. 370–378, 2021, doi:10.1016/j.carbon.2021.05.026 .

A. Ranjbar, H. Mirhosseini, and T. Kühne, “On topological materials as photocatalysts for water splitting by visible light,”10.1088/2515-7639/ac363d__Journal of Physics: Materials, vol. 5, no. 1, Art. no. 015001, 2021, doi:10.1088/2515-7639/ac363d .

M. A. R. da Silva et al., “Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst,”10.1016/j.apcatb.2021.120965__Applied Catalysis B: Environmental, vol. 304, Art. no. 120965, 2021, doi:10.1016/j.apcatb.2021.120965 .

L. Mai et al., “Influence of different ester side groups in polymers on the vapor phase infiltration with trimethyl aluminum,”10.1039/d1dt03753f__Dalton Transactions, vol. 51, no. 4, pp. 1384–1394, 2021, doi:10.1039/d1dt03753f .

M. Wortmann et al., “Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer,”10.1016/j.ijheatmasstransfer.2021.121536__International Journal of Heat and Mass Transfer, vol. 177, Art. no. 121536, 2021, doi:10.1016/j.ijheatmasstransfer.2021.121536 .

T. Rogge, C. Vogelsang, and P. Pollmeier, “Wie erleben Lehramtsstudierende unterschiedliche Feedbacksituationen im Praxissemester? – Analysen auf Basis einer Interviewstudie zum Einsatz von Unterrichtsvideografien,” Seminar, vol. 4, pp. 91–105, 2021.

P. Pollmeier and S. Fechner, “Zwischen den Stühlen? – Verknüpfung von Erfahrungen des Praxissemesters mit Theorien im Lehramtsstudium Chemie. Sukzessiven Kompetenzaufbau nach dem Praxissemester gestalten,” in Theorie und Praxis in der Lehrerbildung - Verhältnisbestimmungen aus der Perspektive von Fachdidaktiken, C. Caruso, C. Harteis, and A. Gröschner, Eds. Wiesbaden: Springer Fachmedien, 2021.

P. Pollmeier and S. Fechner, “Förderung angehender Lehrkräfte im Umgang mit Evidenzen für den naturwissenschaftlichen Unterricht,” in Lehrkräftebildung neu gedacht. Ein Praxishandbuch für die Lehre in den Naturwissenschaften und deren Didaktiken, M. Kubsch, S. Sorge, J. Arnold, and N. Graulich, Eds. Waxmann, 2021, pp. 150–154.

M. T. de los Arcos de Pedro et al., “Review of infrared spectroscopy techniques for the determination of internal structure in thin SiO2 films,”10.1016/j.vibspec.2021.103256__Vibrational Spectroscopy, Art. no. 103256, 2021, doi:10.1016/j.vibspec.2021.103256 .