Publications

Vahideh Alizadeh, Marco Garofalo, Carsten Urbach, Barbara Kirchner (2024). A Hybrid Monte Carlo study of argon solidification. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, (79), 4, https://doi.org/10.1515/znb-2023-0107.

Frank Neese (2024). A perspective on the future of quantum chemical software: the example of the ORCA program package. FARADAY DISCUSSIONS, (254), 0, https://doi.org/10.1039/d4fd00056k.

Marvin H. Lechner, Anastasios Papadopoulos, Kantharuban Sivalingam, Alexander A. Auer, Axel Koslowski, Ute Becker, Frank Wennmohs, Frank Neese (2024). Code generation in ORCA: progress, efficiency and tight integration. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, (26), 21, https://doi.org/10.1039/d4cp00444b.

Christian Hölzer, Rick Oerder, Stefan Grimme, Jan Hamaekers (2024). ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training. JOURNAL OF CHEMICAL INFORMATION AND MODELING, (64), 23, https://doi.org/10.1021/acs.jcim.4c01524.

Leonard Dick, Kai Buchmueller, Barbara Kirchner (2024). Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations. JOURNAL OF PHYSICAL CHEMISTRY B, (128), 18, https://doi.org/10.1021/acs.jpcb.3c08493.

Robin Schafer, David J. Luitz (2024). DanceQ: High-performance library for number-conserving bases,. under review..

Johann Ostmeyer, Lado Razmadze, Evan Berkowitz, Thomas Luu, Ulf-G. Meißner (2024). Effective theory for graphene nanoribbons with junctions,. Phys. Rev. B,, (109,), 19,, https://doi.org/10.1103/PhysRevB.109.195135,.

Zhe Wang, others (2024). Experimental observation of repulsively bound magnons. NATURE, (631), 8022, https://doi.org/10.1038/s41586-024-07599-3.

Chao-Wei Shen, Deborah Rönchen, Ulf-G. Meißner, Bing-Song Zou, Yu-Fei Wang (2024). Exploration of the LHCb $P_c$ states and possible resonances in a unitary coupled-channel model,. Eur. Phys. J. C,, (84,), 7,, https://doi.org/10.1140/epjc/s10052-024-13139-0,.

B. Wehinger, others (2024). Fingerprints of supersymmetric spin and charge dynamics observed by inelastic neutron scattering,. Nature Commun.,, (16,), 1,, https://doi.org/10.1038/s41467-025-58380-7,.