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 217-228 of 9,662
Accuracy-Cost Trade-offs for Reference VQE Calculations of H$_2$ on IBM Quantum Hardware
Julen Larrucea, Marita Oliv, Jeanette Lorenz
Accurate and Affordable Vibrational Spectra of Large Molecules: Primary, Auxiliary, and Spectator Modes in a Perturb-then-Diagonalize Framework.
Barone V, Lazzari F, Mendolicchio M
Accurate Core-Level Ionization Energies from an Affordable Second-Order Approach.
Mester D, Kállay M
Accurate Equilibrium Structures of Organic Radicals Made Accessible with Local-Correlation-Enhanced Pisa Composite Schemes.
Crisci L, Lazzari F, Barone V
Accurate Solution‐Phase Thermodynamics via Composite Quantum Chemistry and Machine Learning: Application to Biomass Decomposition
Mikito Fujinami, Akihiko Okubo, Shuhei Ogo, Ayumu Onda, Hiromi Nakai
Accurate Vibrational Frequency Calculations for Quantum Computing via an Analytic Second-Order Energy Derivative Framework
Juntao Lai, Qiang Fu, Zhenyu Li, Jinlong Yang
Accurate, full-dimensional computations of thousands of complex vibrational eigenstates with tree tensor network states
Henrik R. Larsson, Brieuc Le Dé, Gino E. Gamboni
Accurate, sensitive, and efficient chromatin accessibility quantification at target loci using UNIChro-seq.
Kono M, Hatano H, Asahara K, Nakano M, Bagherzadeh R, Kawashima T, Arakawa T, Sato M, Inokuchi H, Nishino T, Itamiya T, Takahashi H, Natsumoto B, Suzuki A, Yamamoto K, Ishigaki K
Acetaldehyde as CH(2) (+•) Acceptor: Characterization of an Ionic Adduct Possibly Playing a Role in the Astronomical Environment.
Corinti D, Rap DB, Brünken S, Gerlach M, Chiavarino B, Fornarini S, Mayer P, Crestoni ME
Achieving Charge Balance in Red InP-Based QLEDs through a Novel ZnO@hydroxides Electron Transport Layer.
Xiao H, Wang C, Hou R, Hu R, Zhang S, Shi F, Yuan S, Zhang X, Shen H
Achieving the aqueous phosphorescence of carbon dots from solid state for dual-channel detection of dopamine.
Zhao J, Zhang H, Zhou S, Yang X
Achieving ultralight solid-state luminescence of sulfur quantum dots via silica hybridization for multifunctional lighting
Pengxiang Gao, Meiting Lu, Yurong Zeng, Weizhen Liu, Li Zhou