Quantum Chemistry
9,662 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 2209-2220 of 9,662
MPS-VMC: A high-performance matrix product state variational Monte Carlo Solver for ab initio quantum chemistry
Zhiqian Xu, Yangjun Wu, Lizhong Fu, Chu Guo, Honghui Shang
MQED-QD: An Open-Source Package for Quantum Dynamics Simulation in Complex Dielectric Environments
Guangming Liu, Siwei Wang, Hsing-Ta Chen
Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale Ab Initio Calculations.
Liang Q, Yang J
Multi-heteroatom doped carbon quantum dots for ultrasensitive detection of hypochlorite ions in aqueous media
Nermeen S. Hafez, Mohamed Barakat Zakaria Hegazy, Aya Khalifa, Saleh A. Azim, Abdelhamid El-Shaer, El-Zeiny M. Ebeid
Multi-modal detection methods based on vortex fluid device mediated red-emitting carbon dots for sensitive vitamin B(6) detection in food.
Yan Y, Zhang H, Tang Y, Luo X, Raston CL, Li R, Shuang S, Dong C
Multi-objective optimization and quantum hybridization of equivariant deep learning interatomic potentials on organic and inorganic compounds
G. Laskaris, D. Morozov, D. Tarpanov, A. Seth, J. Procelewska, G. Sai Gautam, A. Sagingalieva, R. Brasher, A. Melnikov
Multi-omics network pharmacology and computational validation reveal amodiaquine and desethylamodiaquine as apoptosis-regulating multi-target candidates in colon adenocarcinoma.
Kurmi SPC, Fayek FH, Mishra VK, Nagaraja S, Kn A, Thapa S, Kurmi SK, Gupta RK
Multi-peak single object emission of MAPbBr(3) nanoplatelets synthesised using a non-template ligand-assisted reprecipitation route.
Gupta S, Vorontsov D, Fučíková A, Trojánek F, Zákutná D, Veselý J, Harcuba P, Dopita M
Multi-resonance emitters with phosphorus-bridged cyclization: spectral narrowing synergized with accelerated reverse intersystem crossing.
Fan T, Liu Q, Xu C, Wang X, Wang L, Shuai Z, Zhang D, Duan L
Multi-Resonance Skeleton Engineering for Highly Efficient Blue OLEDs With High Color Purity and Visual Comfort.
Fu Y, Liu H, Huang W, Dong X, Zhang J, He Z, Tang BZ, Zhao Z
Multi-Scale Charge Transfer in Organic Electroluminescence.
He Q, Shi Y, Feng T, Ji S, Chen Q, Song Z, Shen X, Wu X, Li S, Rosei F, Zhang J, Yang C, Zhu R, Shan Q, Xue Q, Huang W, Xie G
Multi-scale in-silico toxicological assessment of Ti₃C₂ and Cr₂C MXene nanoparticles at human biological interfaces.
de-la-Huerta-Sainz S, Díez-Cabanes V, Marcos Villa PA, Bol A, Gómez-Cuadrado L, de la Fuente-Vivas D, Alcodori Ramos J, Martins CF, Meireles IT, Alberto AR, Aparicio S