Zobrazeno 1 - 10
of 2 877
pro vyhledávání: '"Faulstich, A"'
The exploration of the root structure of coupled cluster equations holds both foundational and practical significance for computational quantum chemistry. This study provides insight into the intricate root structures of these non-linear equations at
Externí odkaz:
http://arxiv.org/abs/2405.12238
Anomaly detection plays a crucial role in the field of predictive maintenance for wind turbines, yet the comparison of different algorithms poses a difficult task because domain specific public datasets are scarce. Many comparisons of different appro
Externí odkaz:
http://arxiv.org/abs/2404.10320
Publikováno v:
J. Chem. Phys. 161, 164107 (2024)
We develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To reduce the computational cost, we solve the local fragment problem usin
Externí odkaz:
http://arxiv.org/abs/2404.09078
Anomaly detection in wind turbines typically involves using normal behaviour models to detect faults early. However, training autoencoder models for each turbine is time-consuming and resource intensive. Thus, transfer learning becomes essential for
Externí odkaz:
http://arxiv.org/abs/2404.03011
We propose to improve the convergence properties of the single-reference coupled cluster (CC) method through an augmented Lagrangian formalism. The conventional CC method changes a linear high-dimensional eigenvalue problem with exponential size into
Externí odkaz:
http://arxiv.org/abs/2403.16381
Autor:
Lutz, Marc-Alexander, Schäfermeier, Bastian, Sexton, Rachael, Sharp, Michael, Dima, Alden, Faulstich, Stefan, Aluri, Jagan Mohini
Publikováno v:
Energies (2023), 16, 7937
Maintenance work orders are commonly used to document information about wind turbine operation and maintenance. This includes details about proactive and reactive wind turbine downtimes, such as preventative and corrective maintenance. However, the i
Externí odkaz:
http://arxiv.org/abs/2311.04064
We develop algebraic geometry for coupled cluster (CC) theory of quantum many-body systems. The high-dimensional eigenvalue problems that encode the electronic Schr\"odinger equation are approximated by a hierarchy of polynomial systems at various le
Externí odkaz:
http://arxiv.org/abs/2308.05258
Homotopy methods have proven to be a powerful tool for understanding the multitude of solutions provided by the coupled-cluster polynomial equations. This endeavor has been pioneered by quantum chemists that have undertaken both elaborate numerical a
Externí odkaz:
http://arxiv.org/abs/2306.13299
This article provides the first mathematical analysis of the Density Matrix Embedding Theory (DMET) method. We prove that, under certain assumptions, (i) the exact ground-state density matrix is a fixed-point of the DMET map for non-interacting syste
Externí odkaz:
http://arxiv.org/abs/2305.16472
Autor:
Faulstich, Fabian M., Kristiansen, Håkon E., Csirik, Mihaly A., Kvaal, Simen, Pedersen, Thomas Bondo, Laestadius, Andre
We propose a novel a posteriori error assessment for the single-reference coupled-cluster (SRCC) method called the $S$-diagnostic. We provide a derivation of the $S$-diagnostic that is rooted in the mathematical analysis of different SRCC variants. W
Externí odkaz:
http://arxiv.org/abs/2301.11393