publication

Browse all posts in the publication category.

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28MAY 2025
publication
Single-particle spectra and magnetic susceptibility in the Emery model: A dynamical mean-field perspective
We are pleased to announce the publication of our new paper in SciPost Physics. In our article, we investigate dynamical mean-field calculations of the three-band Emery model, focusing on the one- and two-particle levels for material-realistic parameters of high-(Tc) superconductors. Our results show that even within DMFT, the intrinsic multi-orbital nature of the model introduces […]
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28FEB 2025
publication
Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure
We are pleased to announce our new joint publication with Theoretical Chemsits at the University of Iceland in the Journal of Chemical Theory and Computation (JCTC). In this work, we combine Hartree–Fock with a neural-network-supported quantum-cluster solver to introduce the Neural-Network Configuration Interaction (NNCI) method for accurate and efficient electronic-structure calculations. NNCI selectively identifies relevant […]We are pleased to announce our new joint publication with Theoretical Chemsits at the University of Iceland in the Journal of Chemical Theory and Computation (JCTC). In this work, we combine Hartree–Fock with a neural-network-supported quantum-cluster solver to introduce the Neural-Network Configuration Interaction (NNCI) method for accurate and efficient electronic-structure calculations. NNCI selectively identifies relevant […]
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20JAN 2025
publication
Neural-network-supported basis optimizer for configuration interaction problems
We are pleased to announce the publication of our new paper in Physical Review B. Our work introduces a neural-network approach to optimize the selection of Slater determinants in configuration interaction (CI) calculations for strongly correlated quantum systems. Using a neural classifier and active learning, the method efficiently identifies the most relevant determinants for the ground-state […]We are pleased to announce the publication of our new paper in Physical Review B. Our work introduces a neural-network approach to optimize the selection of Slater determinants in configuration interaction (CI) calculations for strongly correlated quantum systems. Using a neural classifier and active learning, the method efficiently identifies the most relevant determinants for the ground-state […]
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13JAN 2025
Allgemein
SOLAX release
SOLAX is an open-source Python solver for fermionic quantum many-body systems with neural-network support. It provides a modular framework—based on the standard formalism of second quantization—for building basis sets, states, and operators, and for solving quantum cluster problems efficiently. Implemented on top of JAX, SOLAX combines conventional CI tooling with NN-accelerated techniques, and has been […]SOLAX is an open-source Python solver for fermionic quantum many-body systems with neural-network support. It provides a modular framework—based on the standard formalism of second quantization—for building basis sets, states, and operators, and for solving quantum cluster problems efficiently. Implemented on top of JAX, SOLAX combines conventional CI tooling with NN-accelerated techniques, and has been […]
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12APR 2021
publication
Control of the metal-insulator transition in NdNiO3 thin films through the interplay between structural and electronic properties
Y. E. Suyolcu, K. Fürsich, M. Hepting, Z. Zhong, Y. Lu, Y. Wang, G. Christiani, G. Logvenov, P. Hansmann, M. Minola, B. Keimer, P. A. van Aken, E. Benckiser Heteroepitaxy offers a new type of control mechanism for the crystal structure, the electronic correlations, and thus the functional properties of transition-metal oxides. Here, we combine […]
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23MAR 2021
publication
Tracking the Footprints of Spin Fluctuations: A Multi-Method, Multi-Messenger Study of the Two-Dimensional Hubbard Model
Thomas Schäfer, Nils Wentzell, Fedor Šimkovic IV, Yuan-Yao He, Cornelia Hille, Marcel Klett, Christian J. Eckhardt, Behnam Arzhang, Viktor Harkov, François-Marie Le Régent, Alfred Kirsch, Yan Wang, Aaram J. Kim, Evgeny Kozik, Evgeny A. Stepanov, Anna Kauch, Sabine Andergassen, Philipp Hansmann, Daniel Rohe, Yuri M. Vilk, James P. F. LeBlanc, Shiwei Zhang, A.-M. S. Tremblay, Michel Ferrero, Olivier Parcollet, Antoine Georges The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations. Using the two-dimensional half-filled Hubbard […]Thomas Schäfer, Nils Wentzell, Fedor Šimkovic IV, Yuan-Yao He, Cornelia Hille, Marcel Klett, Christian J. Eckhardt, Behnam Arzhang, Viktor Harkov, François-Marie Le Régent, Alfred Kirsch, Yan Wang, Aaram J. Kim, Evgeny Kozik, Evgeny A. Stepanov, Anna Kauch, Sabine Andergassen, Philipp Hansmann, Daniel Rohe, Yuri M. Vilk, James P. F. LeBlanc, Shiwei Zhang, A.-M. S. Tremblay, Michel Ferrero, Olivier Parcollet, Antoine Georges The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations. Using the two-dimensional half-filled Hubbard […]
Read more about Tracking the Footprints of Spin Fluctuations: A Multi-Method, Multi-Messenger Study of the Two-Dimensional Hubbard Model