Zobrazeno 1 - 10
of 5 428
pro vyhledávání: '"Génin, A."'
Autor:
Jin, Hanxun, Goldberg, William, Wang, Zhenqin, Li, Huiyong, Huang, Yuxuan, Foston, Marcus, Genin, Guy M.
Renewable and biodegradable plastics derived from soy protein isolate (SPI) offer a promising alternative to conventional petroleum-based plastics, particularly for film-grade bioplastics applications such as plastic bags. However, even with reinforc
Externí odkaz:
http://arxiv.org/abs/2412.13210
Satellite optical images, upon their on-ground receipt, offer a distorted view of the observed scene. Their restoration, classically including denoising, deblurring, and sometimes super-resolution, is required before their exploitation. Moreover, qua
Externí odkaz:
http://arxiv.org/abs/2412.04130
Hydrophobic patches on protein surfaces play important functional roles in protein-protein and protein-ligand interactions. Large hydrophobic surfaces are also involved in the progression of aggregation diseases. Predicting exposed hydrophobic patche
Externí odkaz:
http://arxiv.org/abs/2405.15928
We assessed three schemes for propagating a variable-width (thawed) Gaussian wave packet moving under the influence of Morse or double-well potentials with parameters that are chemically representative. The most rigorous scheme is based on the time-d
Externí odkaz:
http://arxiv.org/abs/2405.01729
Publikováno v:
J. Phys. Chem. A 2024, 128, 9287-9301
A method for performing variable-width (thawed) Gaussian wavepacket (GWP) variational dynamics on machine-learned potentials is presented. Instead of fitting the potential energy surface (PES), the anharmonic correction to the global harmonic approxi
Externí odkaz:
http://arxiv.org/abs/2405.00193
The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consider the classical simulation of the iterative Qubit Coupled Cluster (iQ
Externí odkaz:
http://arxiv.org/abs/2404.10047
Autor:
Zezulka, Sebastian, Genin, Konstantin
Deploying an algorithmically informed policy is a significant intervention in society. Prominent methods for algorithmic fairness focus on the distribution of predictions at the time of training, rather than the distribution of social goods that aris
Externí odkaz:
http://arxiv.org/abs/2401.14438
Regularization of inverse problems is of paramount importance in computational imaging. The ability of neural networks to learn efficient image representations has been recently exploited to design powerful data-driven regularizers. While state-of-th
Externí odkaz:
http://arxiv.org/abs/2311.17744
Autor:
Zezulka, Sebastian, Genin, Konstantin
Deploying an algorithmically informed policy is a significant intervention in the structure of society. As is increasingly acknowledged, predictive algorithms have performative effects: using them can shift the distribution of social outcomes away fr
Externí odkaz:
http://arxiv.org/abs/2310.08349
Autor:
Isabel Alves, Joanna Giemza, Michael G. B. Blum, Carolina Bernhardsson, Stéphanie Chatel, Matilde Karakachoff, Aude Saint Pierre, Anthony F. Herzig, Robert Olaso, Martial Monteil, Véronique Gallien, Elodie Cabot, Emma Svensson, Delphine Bacq, Estelle Baron, Charlotte Berthelier, Céline Besse, Hélène Blanché, Ozvan Bocher, Anne Boland, Stéphanie Bonnaud, Eric Charpentier, Claire Dandine-Roulland, Claude Férec, Christine Fruchet, Simon Lecointe, Edith Le Floch, Thomas E. Ludwig, Gaëlle Marenne, Vincent Meyer, Elisabeth Quellery, Fernando Racimo, Karen Rouault, Florian Sandron, Jean-Jacques Schott, Lourdes Velo-Suarez, Jade Violleau, Eske Willerslev, Yves Coativy, Mael Jézéquel, Daniel Le Bris, Clément Nicolas, Yvan Pailler, Marcel Goldberg, Marie Zins, Hervé Le Marec, Mattias Jakobsson, Pierre Darlu, Emmanuelle Génin, Jean-François Deleuze, Richard Redon, Christian Dina
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-18 (2024)
Abstract The demographical history of France remains largely understudied despite its central role toward understanding modern population structure across Western Europe. Here, by exploring publicly available Europe-wide genotype datasets together wi
Externí odkaz:
https://doaj.org/article/2cfe22713c9047a98436743628f16f58
