Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Stephen E. Gant, Antonios M. Alvertis, Christopher J. N. Coveney, Jonah B. Haber, Marina R. Filip | Summary: Monoclinic bismuth vanadate (m-BiVO$_4$) is a promising indirect band gap semiconductor for photoelectrochemical water splitting, yet the characteristics of its low-lying photoexcitations, or excitons, remain poorly understood. Here, […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Oskar Leimkuhler, K. Birgitta Whaley, , , | Summary: We prove classical simulation hardness, under the generalized $mathsf{P}neqmathsf{NP}$ conjecture, for quantum circuit families with applications in near-term quantum chemical ground state estimation. The proof exploits a connection to particle number conserving matchgate circuits with fermionic magic state […]
Kavli Affiliate: Xiang Zhang | First 5 Authors: Peilin Cao, Ying Geng, Nan Feng, Xiang Zhang, Zhiwen Qi | Summary: As current group contribution (GC) methods are mostly proposed for a wide size-range of molecules, applying them to property prediction of small refrigerant molecules could lead to unacceptable errors. In this sense, for the design […]
Kavli Affiliate: Feng Wang | First 5 Authors: Yi Ching Chou, Long Chen, Hengzhi Wang, Feng Wang, Hao Fang | Summary: Low Earth Orbit (LEO) satellite networks, characterized by their high data throughput and low latency, have gained significant interest from both industry and academia. Routing data efficiently within these networks is essential for maintaining […]
Kavli Affiliate: Xiang Zhang | First 5 Authors: Mengsong Wu, Tong Zhu, Han Han, Xiang Zhang, Wenbiao Shao | Summary: Tool learning can further broaden the usage scenarios of large language models (LLMs). However most of the existing methods either need to finetune that the model can only use tools seen in the training data, […]
Kavli Affiliate: David T. Limmer | First 5 Authors: Sam Oaks-Leaf, David T. Limmer, , , | Summary: We present a dynamical model of crystal growth, in which it is possible to reliably achieve asymmetric products, beginning from symmetric initial conditions and growing within an isotropic environment. The asymmetric growth is the result of a […]
Kavli Affiliate: Ting Xu | First 5 Authors: Qiang Li, Ting Xu, Vince D. Calhoun, , | Summary: The world of beauty is deeply connected to the visual cortex, as perception often begins with vision in both humans and marmosets. Quantifying functional correspondences in the visual cortex across species can help us understand how information […]
Kavli Affiliate: Ting Xu | First 5 Authors: Yanlin Xiang, Qingyuan He, Ting Xu, Ran Hao, Jiacheng Hu | Summary: This study proposes a 3D semantic segmentation method for the spine based on the improved SwinUNETR to improve segmentation accuracy and robustness. Aiming at the complex anatomical structure of spinal images, this paper introduces a […]
Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Francisca Sagredo, María Camarasa-Gómez, Francesco Ricci, Aurélie Champagne, Leeor Kronik | Summary: Hybrid functionals have been considered insufficiently reliable for the prediction of band gaps in solids and surfaces. We revisit this issue with a new generation of optimally-tuned range-separated hybrid functionals, focusing on the reconstructed […]
Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Francisca Sagredo, María Camarasa-Gómez, Francesco Ricci, Aurélie Champagne, Leeor Kronik | Summary: Hybrid functionals have been considered insufficiently reliable for the prediction of band gaps in solids and surfaces. We revisit this issue with a new generation of optimally-tuned range-separated hybrid functionals, focusing on the reconstructed […]