Quantum Chemistry
277 papers for year 2019
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 109-120 of 277
Hybrid nanophotonic-nanomagnonic SiC-YiG quantum sensor: I/ theoretical design and properties
Jérôme Tribollet
Hybrid nanophotonic-nanomagnonic SiC-YiG quantum sensor: II/ optical fiber based ODMR and OP-PELDOR experiments on bulk HPSI 4H-SiC
Jérôme Tribollet
Hybrid quantum-classical neural network for calculating ground state energies of molecules
Rongxin Xia, Sabre Kais
Implementation of the XY interaction family with calibration of a single pulse
Deanna M. Abrams, Nicolas Didier, Blake R. Johnson, Marcus P. da Silva, Colm A. Ryan
Improved semiclassical dynamics through adiabatic switching trajectory sampling
Riccardo Conte, Lorenzo Parma, Chiara Aieta, Alessandro Rognoni, Michele Ceotto
Inner privacy of conscious experiences and quantum information
Danko D. Georgiev
Investigating detailed mechanism of hydrogen molecules adsorbing on single-wall carbon nanotubes using fitted force field parameters containing carbon-carbon interactions.
Kong CP, Gao X, Jia R, Zhang HX
Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis.
Saravanan K, Sivanandam M, Hunday G, Mathiyalagan L, Kumaradhas P
Is a High Photoluminescence Quantum Yield Good Enough for OLEDs? Can Luminescence Rigidochromism Be Manifest in the Solid State? an Optoelectronic Device Screening Case Study for Diphosphine/Pyrazolate Copper(I) Complexes
Mohammad A. Omary, John J. Determan, Chammi S. Palehepitiya Gamage, Pankaj Sinha, Shan Li, Monika R. Patterson, Vladimir N. Nestero, Angela K. Wilson, H. V. Rasika Dias
Is the Trotterized UCCSD Ansatz chemically well-defined?
Harper R. Grimsley, Daniel Claudino, Sophia E. Economou, Edwin Barnes, Nicholas J. Mayhall
Isothiirane: A Molecular Structure Dilemma Resolved.
Maley SM, Mawhinney RC
Kinetic correlation functionals from the entropic regularisation of the strictly-correlated electrons problem
Augusto Gerolin, Juri Grossi, Paola Gori-Giorgi