Zobrazeno 1 - 10
of 12 004
pro vyhledávání: '"Car A"'
We report an extensive molecular dynamics study of ab-initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional t
Externí odkaz:
http://arxiv.org/abs/2410.06414
As robotic systems become increasingly integrated into complex real-world environments, there is a growing need for approaches that enable robots to understand and act upon natural language instructions without relying on extensive pre-programmed kno
Externí odkaz:
http://arxiv.org/abs/2409.11580
The structural, dielectric, and thermodynamic properties of the hydrogen-bonded ferroelectric crystal potassium dihydrogen phosphate ($\mathbf{KH_2PO_4}$), KDP for short, differ significantly from those of DKDP ($\mathbf{KD_2PO_4}$). It is well estab
Externí odkaz:
http://arxiv.org/abs/2404.08125
In molecular simulations, neural network force fields aim at achieving \emph{ab initio} accuracy with reduced computational cost. This work introduces enhancements to the Deep Potential network architecture, integrating a message-passing framework an
Externí odkaz:
http://arxiv.org/abs/2404.04370
Autor:
Zhang, Chunyi, Andrade, Marcos Calegari, Goldsmith, Zachary K., Raman, Abhinav S., Li, Yifan, Piaggi, Pablo, Wu, Xifan, Car, Roberto, Selloni, Annabella
The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understanding its microscopic structure is challenging for both theory and experi
Externí odkaz:
http://arxiv.org/abs/2404.00167
Manipulating deformable objects remains a challenge within robotics due to the difficulties of state estimation, long-horizon planning, and predicting how the object will deform given an interaction. These challenges are the most pronounced with 3D d
Externí odkaz:
http://arxiv.org/abs/2403.10401
Autor:
Cherubini, Marco, Monacelli, Lorenzo, Yang, Bingjia, Car, Roberto, Casula, Michele, Mauri, Francesco
We investigate the structural and thermodynamic properties of high-pressure ice by incorporating quantum anharmonicity at a non-perturbative level. Quantum fluctuations reduce the critical pressure of the phase transition between phase VIII (with asy
Externí odkaz:
http://arxiv.org/abs/2403.09238
Autor:
Chunyi Zhang, Marcos F. Calegari Andrade, Zachary K. Goldsmith, Abhinav S. Raman, Yifan Li, Pablo M. Piaggi, Xifan Wu, Roberto Car, Annabella Selloni
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Abstract The electrical double layer (EDL) at metal oxide-electrolyte interfaces critically affects fundamental processes in water splitting, batteries, and corrosion. However, limitations in the microscopic-level understanding of the EDL have been a
Externí odkaz:
https://doaj.org/article/bf3583097d4e4bf98ace5c11b2a820c8
Autor:
Oscar Castro, Alicia Salamanca-Sanabria, Aishah Alattas, Gisbert Wilhelm Teepe, Konstantin Leidenberger, Elgar Fleisch, Lorainne Tudor Car, Falk Muller-Riemenschneider, Tobias Kowatsch
Publikováno v:
Archives of Public Health, Vol 82, Iss 1, Pp 1-16 (2024)
Abstract Background Digital innovations can reduce the global burden of depression by facilitating timely and scalable interventions. In recent years, the number of commercial Digital Health Interventions for Depression (DHIDs) has been on the rise.
Externí odkaz:
https://doaj.org/article/6681f61727e14ebf98f27660cf41a188
Human evaluation plays a crucial role in Natural Language Processing (NLP) as it assesses the quality and relevance of developed systems, thereby facilitating their enhancement. However, the absence of widely accepted human evaluation metrics in NLP
Externí odkaz:
http://arxiv.org/abs/2310.01917