Research Associate

Publications

The surface in silico: general discussion
R Arul, EHG Backus, C Baddeley, E Borguet, CL Box, R Chikkaraddy, Á Cimas, A Cuesta, PR Davies, PM Donaldson, AP Fellows, D Ferri, RR Frontiera, M-P Gaigeot, AM Gardner, AM Gómez-Marín, Z Heiner, N Hertl, NJD Hill, DK Hore, L Jensen, S Kogikoski, D Lennon, X Li, M Oakes, C O'Brien, PB Petersen, S Pezzotti, R Raval, E Ringe, G Rupprechter, N Spiesshofer, A Tamtögl, D Täuber, M Thämer, C Todd, BM Weckhuysen, W Widdra, T Yang
Faraday Discuss
(2026)
265
What is the question, what is the technique?: general discussion.
R Arul, EHG Backus, E Borguet, CL Box, R Chikkaraddy, A Cuesta, PR Davies, PM Donaldson, SN Erkizan, AP Fellows, D Ferri, RR Frontiera, M-P Gaigeot, LJ Hardwick, Z Heiner, N Hertl, M Hofmann, DK Hore, S Kogikoski, M Monai, JK Pattem, PB Petersen, S Pezzotti, R Raval, E Ringe, N Spiesshofer, A Tamtögl, D Täuber, C Todd, BM Weckhuysen, W Widdra
Faraday Discuss
(2026)
265
Mode selectivity in electron-promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces.
N Hertl, CL Box, RJ Maurer
Faraday Discuss
(2026)
265
Roadmap on Advancements of the FHI-aims Software Package
JW Abbott, C Mera Acosta, A Akkoush, A Ambrosetti, V Atalla, A Bagrets, J Behler, D Berger, H Bertschi, B Bieniek, J Björk, V Blum, S Bohloul, CL Box, NJ Boyer, DS Brambila, GA Bramley, KR Bryenton, M Camarasa-Gómez, C Carbogno, F Caruso, S Chutia, M Ceriotti, G Csányi, W Dawson, FA Delesma, F Della Sala, B Delley, R DiStasio, M Dragoumi, S Driessen, M Dvorak, S Erker, F Evers, E Fabiano, MR Farrow, F Fiebig, J Filser, L Foppa, L Gallandi, A Garcia, R Gehrke, S Ghan, L Ghiringhelli, M Glass, S Goedecker, D Golze, M Gramzow, JA Green, A Grisafi, A Grüneis, JJ Günzl, S Gutzeit, SJ Hall, F Hanke, V Havu, X He, J Hekele, O Hellman, U Herath, J Hermann, D Hernangómez-Pérez, OT Hofmann, J Hoja, S Hollweger, L Hörmann, B Hourahine, WB How, WP Huhn, M Hülsberg, T Jacob, S Panahian Jand, H Jiang, E Johnson, W Jürgens, JM Kahk, Y Kanai, K Kang, P Karpov, E Keller, R Kempt, D Khan, M Kick, BP Klein, J Kloppenburg, A Knoll, F Knoop, F Knuth, SS Köcher, J Kockläuner, S Kokott, T Körzdörfer, H-H Kowalski, P Kratzer, P Kus, R Laasner, B Lang, B Lange, MF Langer, AH Larsen, H Lederer, S Lehtola, M-O Lenz-Himmer, M Leucke, S Levchenko, A Lewis, OA von Lilienfeld, K Lion, W Lipsunen, J Lischner, Y Litman, C Liu, Q-L Liu, S Liu, AJ Logsdail, M Lorke, Z Lou, I Mandzhieva, A Marek, JT Margraf, RJ Maurer, T Melson, F Merz, J Meyer, GS Michelitsch, T Mizoguchi, E Moerman, D Morgan, J Morgenstein, J Moussa, AS Nair, L Nemec, H Oberhofer, A Otero-de-la-Roza, RL Panadés-Barrueta, T Patlolla, M Pogodaeva, A Pöppl, AJA Price, TAR Purcell, J Quan, N Raimbault, M Rampp, K Rasim, R Redmer, X Ren, K Reuter, NA Richter, S Ringe, P Rinke, SP Rittmeyer, HI Rivera-Arrieta, M Ropo, M Rossi, V Ruiz, N Rybin, A Sanfilippo, M Scheffler, C Scheurer, C Schober, F Schubert, T Shen, C Shepard, H Shang, K Shibata, A Sobolev, R Song, A Soon, DT Speckhard, PV Stishenko, E Stocco, MN Tahir, I Takahara, J Tang, Z Tang, T Theis, F Theiss, A Tkatchenko, M Todorović, G Trenins, OT Unke, Á Vázquez-Mayagoitia, O van Vuren, D Waldschmidt, H Wang, Y Wang, J Wieferink, J Wilhelm, S Woodley, J Xu, Y Xu, Y Yao, Y Yao, M Yoon, VW-Z Yu, Z Yuan, M Zacharias, IY Zhang, M-Y Zhang, W Zhang, X Zhang, R Zhao, S Zhao, R Zhou, Y Zhou, T Zhu
Electronic Structure
(2026)
Mode selectivity in electron promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces
N Hertl, CL Box, RJ Maurer
(2025)
Nonadiabatic reactive scattering of hydrogen on different surface facets of copper
WG Stark, CL Box, M Sachs, N Hertl, RJ Maurer
Physical Review B
(2025)
112
Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory
CL Box, N Hertl, WG Stark, RJ Maurer
The Journal of Physical Chemistry Letters
(2024)
15
Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory
CL Box, N Hertl, WG Stark, RJ Maurer
(2024)
Ab initio calculation of electron-phonon linewidths and molecular dynamics with electronic friction at metal surfaces with numeric atom-centred orbitals
CL Box, WG Stark, RJ Maurer
Electronic Structure
(2023)
5
Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter
Y Zhang, CL Box, T Schäfer, A Kandratsenka, AM Wodtke, RJ Maurer, B Jiang
Physical Chemistry Chemical Physics
(2022)
24

Postdoctoral researcher

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