Quantum Chemistry
9,538 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 97-108 of 9,538
A Mixed-Precision Approach to a Preconditioned Eigensolver for Efficient Density Functional Calculations on AI-Focused GPUs.
Woo J, Choi S
A molecular handshake: proline-mediated cds-quantum dots-based heterojunctions for efficient photoreduction of bio-derived furans
Jian-Long Li, Tian-Xu Zeng, Yang Wu, Chen-Guang Li, Dong-Dong Wei, Xue-Tong Cheng, Yun Jing, Qing Guo, Bing Wang, Jiwu Zhao, Hong-Yan Wang
A molecular imprinted fluorescence sensor based on EDTA-Cu quantum dots for methamphetamine recognition.
Zhu Y, Wang L, Zhao J, Zhang J, Yin Q
A molecularly imprinted fluorescent nanoprobe integrates N-doped graphene quantum dots and Cu-based metal-organic framework for simazine detection in fruit juices
Noppanut Longnapa, Daniel Citterio, Piyaluk Nurerk, Opas Bunkoed
A multifunctional coating based on carbon quantum dots
Biao Wang, Qishuang Yang, Bozhong Mu
A near-ambient-pressure A7 phase achieved by high-pressure quenching of few-layered violet phosphorus and black phosphorus.
Li C, Cheng W, Zhang X, Yang Q, Jia Y, Han J, Li X, Wu H, Wang S, Liu Y, Zhu J
A neural network potential energy surface of the Na2K system and quantum dynamics studies for the Na + NaK → Na2 + K reaction
Youhui Wu, Xinghao Qu, Xiaoxi Xu, Bayaer Buren
A New Angle on Quantum Subspace Diagonalization for Quantum Chemistry
Xeno De Vriendt, Jacob Bringewatt, Nik O. Gjonbalaj, Stefan Ostermann, Davide Vodola, Johannes Borregaard, Michael Kühn, Susanne F. Yelin
A new chemical network to explore the disequilibrium chemistry of silicates and iron in hot gas giants
Paolo Simonetti, Diego Turrini, Stavro L. Ivanovski, Romolo Politi, Eugenio Schisano, Sergio Fonte, Danae Polychroni, Elenia Pacetti, Sergio Molinari, Michele Zusi, Valeria Cottini
A new cytochalasan metabolite with cytotoxic activity from the mangrove endophytic fungus Talaromyces sp. GDUT-10.
Yan X, Tan R, Wang Y, Zheng N, Huang H, Chen G
A nitrogen-rich Eu-MOF for ultrasensitive fluorescence detection of 6-mercaptopurine and 6-thioguanine.
Ji C, Liu H, Chen Y, Zhang J, Zhang Z, Yang Y
A note on large-scale quantum chemistry on quantum computers: the case of a molecule with half-Möbius topology
Samuele Piccinelli, Stefano Barison, Alberto Baiardi, Francesco Tacchino, Jascha Repp, Igor Rončević, Florian Albrecht, Harry L. Anderson, Leo Gross, Alessandro Curioni, Ivano Tavernelli