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 4789-4800 of 9,538
Shortcut to chemically accurate quantum computing via density-based basis-set correction.
Traore D, Adjoua O, Feniou C, Lygatsika IM, Maday Y, Posenitskiy E, Hammernik K, Peruzzo A, Toulouse J, Giner E, Piquemal JP.
Shortcuts for Adiabatic and Variational Algorithms in Molecular Simulation
Julián Ferreiro-Vélez, Iñaki Iriarte-Zendoia, Yue Ban, Xi Chen
Simple dual-readout immunosensor based on phosphate-triggered and potassium permanganate for visual detection of fenitrothion.
Chen ZJ, Huang AJ, Luo L, Xu ZL, Wang H
Simulating and comparing the quantum and classical mechanically motion of two hydrogen atoms
Hui-hui Miao
Simulating and investigating various dynamic aspects of the $\rm{H}_2\rm{O}$-related hydrogen bond model
Jiangchuan You, Ran Chen, Wanshun Li, Hui-hui Miao, Yuri Igorevich Ozhigov
Simulating electron-vibron energy transfer with quantum dots and resonators
Cecilie Hermansen, Mara Caltapanides, Volker Meden, Jens Paaske
Simulating NMR Spectra with a Quantum Computer
Joaquín Ossorio-Castillo, Alexandre Rodríguez-Coello
Simulating open-system molecular dynamics on analog quantum computers
V. C. Olaya-Agudelo, B. Stewart, C. H. Valahu, R. J. MacDonell, M. J. Millican, V. G. Matsos, F. Scuccimarra, T. R. Tan, I. Kassal
Simulating the Fermi-Hubbard model with long-range hopping on a quantum computer
Tatiana A. Bespalova, Karlo Delić, Guido Pupillo, Francesco Tacchino, Ivano Tavernelli
Simulation of oriented NMR spectra: Combining molecular dynamics and chemical shift tensor calculations.
Sternberg U, Witter R
Simulation of Vibrational Circular Dichroism Spectra Using Second-Order Møller-Plesset Perturbation Theory and Configuration Interaction Doubles
Brendan M. Shumberger, T. Daniel Crawford
Simulations of evaporation to deep Fermi degeneracy in microwave-shielded molecules
Reuben R. W. Wang, Shrestha Biswas, Sebastian Eppelt, Fulin Deng, Xin-Yu Luo, John L. Bohn