Kavli Affiliate: Jeffrey Neaton | Summary:Optimal tuning of functional parameters in density functional theory approximations, based on enforcing the ionization potential theorem, has emerged as the method of choice for the non-empirical prediction of the electronic structure of finite systems. This method has recently been extended to the bulk limit, based on an ansatz that […]

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Guy Ohad, Guy Ohad, , , | Summary: Optimal tuning of functional parameters in density functional theory approximations, based on enforcing the ionization potential theorem, has emerged as the method of choice for the non-empirical prediction of the electronic structure of finite systems. This method has […]

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Guy Ohad, María Camarasa-Gómez, Jeffrey B. Neaton, Ashwin Ramasubramaniam, Tim Gould | Summary: Optimal tuning of functional parameters in density functional theory approximations, based on enforcing the ionization potential theorem, has emerged as the method of choice for the non-empirical prediction of the electronic structure of […]

Kavli Affiliate: Feng Wang | First 5 Authors: Feng Wang, Yiding Sun, Jiaxin Mao, Wei Xue, Danqing Xu | Summary: Large language models (LLMs) have demonstrated remarkable capabilities across various professional domains, with their performance typically evaluated through standardized benchmarks. However, the development of financial RAG benchmarks has been constrained by data confidentiality issues and […]

Kavli Affiliate: Xiang Zhang | First 5 Authors: Xiaochen Wang, Zongyu Wu, Yuan Zhong, Xiang Zhang, Suhang Wang | Summary: Graph retrieval-augmented generation (GRAG) places high demands on graph-specific retrievers. However, existing retrievers often rely on language models pretrained on plain text, limiting their effectiveness due to domain misalignment and structure ignorance. To address these […]