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 301-312 of 9,538
An Integrated DFT-Wannier-Quantum Embedding Pipeline for Strongly Correlated Materials: Scaling Benchmarks in Li-hBN
Hermawan Kresno Dipojono
An integrated ultrahigh vacuum cluster tool for diamond surface science and single nitrogen-vacancy center measurements
Zhiyang Yuan, Sorawis Sangtawesin, Lila V. H. Rodgers, Kalliope Zervas, James J. Allred, Jared Rovny, Patryk Gumann, Nathalie P. de Leon
An Investigation of the Structural, Electronic, and Magnetic Properties of VMnGe(n) (n = 3-18) Clusters: Insights From Theoretical Calculations.
Wang K, Zhang Y, Du H, Wang C, Lian L, Xu S
An Iterative Dual-Channel Neural Quantum State Algorithm for Selected Configuration Interaction
Jen-Yu Chang, Yi-Chun Chang, Yu-Jui Lin, Ming-Chun Yang, Hsiu-Chi Tsai, Tai-Yue Li, Nan Yow Chen, Tsung-Wei Huang, En-Jui Kuo
An LLM System for Autonomous Variational Quantum Circuit Design
Kenya Sakka, Wataru Mizukami, Kosuke Mitarai
An Oracle-Free Quantum Algorithm for Nonadiabatic Quantum Molecular Dynamics
Joshua Courtney
An origami microfluidic paper-based analytical device for colorimetric determination of the albumin-creatinine ratio using Mn–ZnS quantum dots coated with molecularly imprinted polymers
Orrathai Goman, Suticha Chunta, Sanoe Chairam, Wipharat Chuachuad Chaiyasith, Maliwan Amatatongchai
An ultra-low-consumption dilution strategy for high-performance inverted perovskite solar cells.
Zhou Y, Pang J, Zhang B, Li Y, Feng Y, Zhang B, Wang Q, Liu R, Shen Z, Li F
Analysis of Hydrogen Contamination in Al/AlOx/Al Josephson Junctions
Yu Zhu, Aldilene Saraiva-Souza, Félix Beaudoin, Hong Guo
Analytic evaluation of dipole derivatives in constrained nuclear-electronic orbital framework: Impact of nuclear quantum effects on infrared intensities.
Yang Y, Xu X
Analytical and Computational Study of Bound States in Quantum Systems with Topological Defects under the Morse-Hulthén Interaction Potential
Eddy Sunday William, Samuel Okon Inyang, Etido Patrick Inyang, Olusegun Ayodeji Akinde, Mfon Celestine Bede, Imoh Dominic Ekpa
Analytical Nuclear Gradients and Hessians on Quantum Hardware via Orbital-Optimized VQE with Error Mitigation
Renato Olarte Hernandez, Karl Michael Ziems, Erik Kjellgren, Jacob Kongsted, Sonia Coriani, Stephan P. A. Sauer