Publications

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.

Johann Ostmeyer (2024). Exponential speed up in Monte Carlo sampling through Radial Updates. J. Phys. A, (58), 18, https://doi.org/10.1088/1751-8121/add063.

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Pavel Buividovich, Johann Ostmeyer, Alessandro Troisi (2024). High-precision Quantum Monte-Carlo study of charge transport in a lattice model of molecular organic semiconductors. PoS, (LATTICE2024), https://doi.org/10.22323/1.466.0067.

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Johann Ostmeyer, Aniket Sen, Carsten Urbach (2024). On the equivalence of Prony and Lanczos methods for Euclidean correlation functions. Eur. Phys. J. A, (61), 2, https://doi.org/10.1140/epja/s10050-025-01495-8.

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Artur Avkhadiev, Lena Funcke, Karl Jansen, Stefan Kühn, Phiala E. Shanahan (2024). Small-scale Hamiltonian optimization of interpolating operators for Lagrangian lattice quantum field theory. under review..

C. Alexandrou, others (2024). Strange and charm quark contributions to the muon anomalous magnetic moment in lattice QCD with twisted-mass fermions. Phys. Rev. D, (111), 5, https://doi.org/10.1103/PhysRevD.111.054502.

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Andrea Bulgarelli, Elia Cellini, Karl Jansen, Stefan Kühn, Alessandro Nada, Shinichi Nakajima, Kim A. Nicoli, Marco Panero (2024). Flow-based Sampling for Entanglement Entropy and the Machine Learning of Defects. Phys. Rev. Lett., (134), 15, https://doi.org/10.1103/PhysRevLett.134.151601.

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Kriti Baweja, David J. Luitz, Samuel J. Garratt (2024). Post-measurement Quantum Monte Carlo. Phys. Rev. B, (112), 18, https://doi.org/10.1103/2tx2-7z18.

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Leonard Dick, others (2024). The adsorption of drugs on nanoplastics has severe biological impact. SCIENTIFIC REPORTS, (14), 1, https://doi.org/10.1038/s41598-024-75785-4.

Johann Ostmeyer, Tahereh Nematiaram, Alessandro Troisi, Pavel Buividovich (2024). First-principles quantum Monte Carlo study of charge-carrier mobility in organic molecular semiconductors. Phys. Rev. Applied, (22), 3, https://doi.org/10.1103/PhysRevApplied.22.L031004.

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