Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.”https://doi.org/10.1063/5.0037319__The Journal of Chemical Physics 154, no. 7 (2021).https://doi.org/10.1063/5.0037319 .
LibreCat: /record/33648
DOI: 10.1063/5.0037319

Chugh, Manjusha, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini, and Thomas Kühne. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.”https://doi.org/10.1088/2053-1591/ac1965__Materials Research Express 8, no. 8 (2021).https://doi.org/10.1088/2053-1591/ac1965 .
LibreCat: /record/33655
DOI: 10.1088/2053-1591/ac1965

Partovi-Azar, Pouya, and Thomas Kühne. “Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase.”https://doi.org/10.3390/mi12101212__Micromachines 12, no. 10 (2021).https://doi.org/10.3390/mi12101212 .
LibreCat: /record/33658
DOI: 10.3390/mi12101212

Sahoo, Sudhir K., Ivo F. Teixeira, Aakash Naik, Julian Joachim Heske, Daniel Cruz, Markus Antonietti, Aleksandr Savateev, and Thomas Kühne. “Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(Heptazine Imide) 2D Materials.”https://doi.org/10.1021/acs.jpcc.1c03947__The Journal of Physical Chemistry C 125, no. 25 (2021): 13749–58.https://doi.org/10.1021/acs.jpcc.1c03947 .
LibreCat: /record/33651
DOI: 10.1021/acs.jpcc.1c03947

Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.”https://doi.org/10.1016/j.commatsci.2021.110567__Computational Materials Science 197 (2021).https://doi.org/10.1016/j.commatsci.2021.110567 .
LibreCat: /record/33657
DOI: 10.1016/j.commatsci.2021.110567

Balos, Vasileios, Hossam Elgabarty, Martin Wolf, Thomas Kühne, Roland Netz, Douwe Jan Bonthuis, Naveen Kaliannan, Philip Loche, Tobias Kampfrath, and Mohsen Sajadi. “Ultrafast Solvent-to-Solvent and Solvent-to-Solute Energy Transfer Driven by Single-Cycle THz Electric Fields.”https://doi.org/10.1117/12.2594143__In Terahertz Emitters, Receivers, and Applications XII, edited by Manijeh Razeghi and Alexei N. Baranov. SPIE, 2021.https://doi.org/10.1117/12.2594143 .
LibreCat: /record/33654
DOI: 10.1117/12.2594143

Wang, Mengying, Ahmad Ranjbar, Thomas Kühne, Rodion V. Belosludov, Yoshiyuki Kawazoe, and Yunye Liang. “A Theoretical Investigation of Topological Phase Modulation in Carbide MXenes: Role of Image Potential States.”https://doi.org/10.1016/j.carbon.2021.05.026__Carbon 181 (2021): 370–78.https://doi.org/10.1016/j.carbon.2021.05.026 .
LibreCat: /record/33656
DOI: 10.1016/j.carbon.2021.05.026

Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.”https://doi.org/10.1088/2515-7639/ac363d__Journal of Physics: Materials 5, no. 1 (2021).https://doi.org/10.1088/2515-7639/ac363d .
LibreCat: /record/33659
DOI: 10.1088/2515-7639/ac363d

Gries, Thomas, and Paul J. J. Welfens. “Testing as an Approach to Control the Corona Epidemic Dynamics and Avoid Lockdowns.”https://doi.org/10.1007/s10368-021-00495-5__International Economics and Economic Policy 18, no. 1 (2021): 1–24.https://doi.org/10.1007/s10368-021-00495-5 .
LibreCat: /record/33668
DOI: 10.1007/s10368-021-00495-5

Gries, Thomas, and Wim Naudé. “Extreme Events, Entrepreneurial Start-Ups, and Innovation: Theoretical Conjectures.”https://doi.org/10.1007/s41885-021-00089-0__Economics of Disasters and Climate Change 5, no. 3 (2021): 329–53.https://doi.org/10.1007/s41885-021-00089-0 .
LibreCat: /record/33667
DOI: 10.1007/s41885-021-00089-0