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 745-756 of 9,538
COSMA: Communication-aware Optimization of Fermionic Simulation Kernels for Modular Quantum Architectures
Enrico Russo, Francesco G. Blanco, Elio Vinciguerra, Davide Patti, Giuseppe Ascia, Maurizio Palesi
COSMOSol: efficient solvent screening for polymer additives with open-source COSMO-SAC.
Bouz A, Kosek J, Klajmon M
Cosolvent-tuned interactions in ionic liquids: A vibrational and quantum-chemical study of ethylene glycol ratio effects
Rashmi Mishra, Rohan Sartape, Rohit Chauhan, Meenesh R. Singh, Jindal K. Shah
Cost-Effectiveness Analysis of Axillary Management Options at the Time of Contralateral Prophylactic Mastectomy.
Vetter CD, Boughey JC, Johnson JE
Counterdiabatic ADAPT-VQE for molecular simulation
Diego Tancara, Herbert Díaz-Moraga, Dardo Goyeneche
Counterdiabatic ADAPT-VQE for Molecular Simulation.
Tancara D, Díaz-Moraga H, Goyeneche D
Coupled Electronic and Structural Dynamics Enable Spin Switching in Endohedral Fullerenes.
Song Y, Zhou Y, Yu X, Zhou S, Pei W, Zhao J
Coupled Electronic and Structural Evolution in Materials Probed by Tabletop Femtosecond Coherent XUV Absorption Spectroscopy.
Kumar V, Dharmadhikari AK, Biswas S
Coupled-cluster theory for positron binding in anions and polyatomic molecules.
Riso RR, Trabski JHM, Rossi F, Green DG, Koch H
Coupling between Thermochemical Contributions of Subvalence Correlation and of Higher-Order Post-CCSD(T) Correlation Effects─A Step toward "W5 Theory".
Barman A, Jones GH, Weflen KE, Shepelenko M, Martin JML
Coupling intramolecular singlet fission with quantum dots via triplet energy transfer for enhanced photocatalysis.
Fan X, Liu H, Li T, Wang C, Ma S, Hu H, Qiu W, Wang X, Cui B, Chen Y
Covalent Bond Locking in Semiconducting Oligomers Boosts Ultrabright NIR-II Luminescence for Deep Brain Theranostics.
Li X, Gan H, Zhang C, Gao Y, Zhang J, Su Z, Zhao Q, Feng Z, Zhong J, Wang H, Cen C, Li N, Wang Y, Qiu P, Wang K, Qian J, Li S