Zobrazeno 1 - 10
of 1 559
pro vyhledávání: '"Schätzle, A."'
Autor:
Cheng, Lixue, Szabó, P. Bernát, Schätzle, Zeno, Kooi, Derk, Köhler, Jonas, Giesbertz, Klaas J. H., Noé, Frank, Hermann, Jan, Gori-Giorgi, Paola, Foster, Adam
Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extraction of any other observable of interest, besides the energy, but in prac
Externí odkaz:
http://arxiv.org/abs/2409.01306
An improved penalty-based excited-state variational Monte Carlo approach with deep-learning ansatzes
We introduce several improvements to the penalty-based variational quantum Monte Carlo (VMC) algorithm for computing electronic excited states of Entwistle $\textit{et al.}$ [M. T. Entwistle $\textit{et al.}$, Nat. Commun. $\textbf{14}$, 274 (2023)],
Externí odkaz:
http://arxiv.org/abs/2405.17089
Autor:
Schätzle, Philip, Ghassemizadeh, Reyhaneh, Urban, Daniel F., Wellens, Thomas, Knittel, Peter, Reiter, Florentin, Jeske, Jan, Hahn, Walter
We investigate the spin-coherence decay of NV$^-$-spins interacting with the strongly-coupled bath of nitrogen defects in diamond layers. For thin diamond layers, we demonstrate that the spin-coherence times exceed those of bulk diamond, thus allowin
Externí odkaz:
http://arxiv.org/abs/2401.16169
Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of development as thei
Externí odkaz:
http://arxiv.org/abs/2307.14123
Autor:
Bruckmaier, F., Allert, R. D., Neuling, N. R., Amrein, P., Littin, S., Briegel, K. D., Schätzle, P., Knittel, P., Zaitsev, M., Bucher, D. B.
Understanding diffusion in microstructures plays a crucial role in many scientific fields, including neuroscience, cancer or energy research. While magnetic resonance (MR) methods are the gold standard for diffusion measurements, spatial encoding in
Externí odkaz:
http://arxiv.org/abs/2303.03516
Autor:
Kerstin Blum, Pauline Schepsky, Philip Derleder, Philipp Schätzle, Fahmi Nasri, Philipp Fischer, Jutta Engel, Simone Kurt
Publikováno v:
Frontiers in Cellular Neuroscience, Vol 18 (2024)
Noise-induced cochlear synaptopathy is characterized by irreversible loss of synapses between inner hair cells (IHCs) and spiral ganglion neurons (SGNs) despite normal hearing thresholds. We analyzed hearing performance and cochlear structure in C57B
Externí odkaz:
https://doaj.org/article/d56b50c7176e46b29ec9f9e219a19f7b
Autor:
Allert, Robin D., Bruckmaier, Fleming, Neuling, Nick R., Freire-Moschovitis, Fabian A., Liu, Kristina S., Schrepel, Claudia, Schätzle, Philip, Knittel, Peter, Hermans, Martin, Bucher, Dominik B.
Lab-on-a-chip (LOC) applications have emerged as invaluable physical and life sciences tools. The advantages stem from advanced system miniaturization, thus, requiring far less sample volume while allowing for complex functionality, increased reprodu
Externí odkaz:
http://arxiv.org/abs/2209.01651
Autor:
Reto L. Rominger, Raphael Patcas, Blend Hamza, Marc Schätzle, Florian J. Wegehaupt, Monika A. Hersberger-Zurfluh
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-12 (2024)
Abstract Throughout treatment with fixed orthodontic appliances, effective plaque control is crucial to maintaining dental health. This in-vitro study evaluated the cleaning performance of eleven different brush heads of seven electric toothbrushes (
Externí odkaz:
https://doaj.org/article/be6015a80f234381b5b8958c75ea4f81
Obtaining accurate ground and low-lying excited states of electronic systems is crucial in a multitude of important applications. One ab initio method for solving the Schr\"odinger equation that scales favorably for large systems is variational quant
Externí odkaz:
http://arxiv.org/abs/2203.09472
The long non-coding RNA HOTAIR contributes to joint-specific gene expression in rheumatoid arthritis
Autor:
Muriel Elhai, Raphael Micheroli, Miranda Houtman, Masoumeh Mirrahimi, Larissa Moser, Chantal Pauli, Kristina Bürki, Andrea Laimbacher, Gabriela Kania, Kerstin Klein, Philipp Schätzle, Mojca Frank Bertoncelj, Sam G. Edalat, Leandra Keusch, Alexandra Khmelevskaya, Melpomeni Toitou, Celina Geiss, Thomas Rauer, Maria Sakkou, George Kollias, Marietta Armaka, Oliver Distler, Caroline Ospelt
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-19 (2023)
Abstract Although patients with rheumatoid arthritis (RA) typically exhibit symmetrical joint involvement, some patients develop alternative disease patterns in response to treatment, suggesting that different molecular mechanism may underlie disease
Externí odkaz:
https://doaj.org/article/69a704ad8e714379b5b6e4a46b31ca7a