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 5221-5232 of 9,538
Mixed bromine/chlorine transformation products of tetrabromobisphenol A formed in the combustion of printed circuit boards: Emission characteristics and transformation pathways.
Ge X, Gao Y, Yang Y, Chen G, Ma S, Hu B, Yu Y, An T
Mixed Quantum-Semiclassical Simulation
Javier Gonzalez-Conde, Andrew T. Sornborger
Mixed Quantum/Classical Theory (MQCT) Approach to the Dynamics of Molecule-Molecule Collisions in Complex Systems
Carolin Joy, Bikramaditya Mandal, Dulat Bostan, Marie-Lise Dubernet, Dmitri Babikov
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations.
Cárdenas G, Lucia-Tamudo J, Mateo-delaFuente H, Palmisano VF, Anguita-Ortiz N, Ruano L, Pérez-Barcia Á, Díaz-Tendero S, Mandado M, Nogueira JJ
Mode-multiplexing deep-strong light-matter coupling
J. Mornhinweg, L. Diebel, M. Halbhuber, M. Prager, J. Riepl, T. Inzenhofer, D. Bougeard, R. Huber, C. Lange
Modeling and performance study of CZTS solar cell with novel cupric oxide (CuO) as a bilayer absorber
A. A. Md. Monzur-Ul-Akhir, Saiful Islam, Md. Touhidul Imam, Sharnali Islam, Tasnia Hossain, Mohammad Junaebur Rashid
Molecular conformation evolutions of trans HNS under high pressure.
Gao C, Li X, Wang J, Sun X, Liu S, Zhang Z
Molecular docking via quantum approximate optimization algorithm
Qi-Ming Ding, Yi-Ming Huang, Xiao Yuan
Molecular dynamics study on the behavior and binding mechanism of target protein Transgelin-2 with its agonist TSG12 for anti-asthma drug discovery.
Wu L, Wang G, Zhou L, Mo M, Shi Y, Li B, Yin L, Zhao Q, Yang Y, Wu C, Xu Z, Zhu W
Molecular Symmetry in VQE: A Dual Approach for Trapped-Ion Simulations of Benzene
Joshua Goings, Luning Zhao, Jacek Jakowski, Titus Morris, Raphael Pooser
Momentum-space imaging of ultra-thin electron liquids in delta-doped silicon
Procopios Constantinou, Taylor J. Z. Stock, Eleanor Crane, Alexander Kölker, Marcel van Loon, Juerong Li, Sarah Fearn, Henric Bornemann, Nicolò D'Anna, Andrew J. Fisher, Vladimir N. Strocov, Gabriel Aeppli, Neil J. Curson, Steven R. Schofield
More quantum chemistry with fewer qubits
Jakob Günther, Alberto Baiardi, Markus Reiher, Matthias Christandl