Quantum Simulation
13,277 papers
Quantum Simulation Research Context
This category collects papers on quantum simulation methods for chemistry, materials, many-body systems, condensed matter, and physics models.
Showing 13165-13176 of 13,277
Photo-induced desorption of NO from NiO(100): calculation of the four-dimensional potential energy surfaces and systematic wave packet studies.
Mehdaoui I, Kröner D, Pykavy M, Freund HJ, Klüner T
2006
PubMed
Physical chemistry chemical physics : PCCP
Quantum chemical simulation of excited states of chlorophylls, bacteriochlorophylls and their complexes.
Linnanto J, Korppi-Tommola J
2006
PubMed
Physical chemistry chemical physics : PCCP
Separation of 47Ti and 49Ti solid-state NMR lineshapes by static QCPMG experiments at multiple fields.
Larsen FH, Farnan I, Lipton AS
2006
PubMed
Journal of magnetic resonance (San Diego, Calif. : 1997)
Specific parametrisation of a hybrid potential to simulate reactions in phosphatases.
Arantes GM, Loos M
2006
PubMed
Physical chemistry chemical physics : PCCP
Structure of the pyrroloquinoline quinone radical in quinoprotein ethanol dehydrogenase.
Kay CW, Mennenga B, Görisch H, Bittl R
2006
PubMed
The Journal of biological chemistry
Studying reactive processes with classical dynamics: rebinding dynamics in MbNO.
Nutt DR, Meuwly M
2006
PubMed
Biophysical journal
The cytotoxicity of ortho alkyl substituted 4-X-phenols: a QSAR based on theoretical bond lengths and electron densities.
Loader RJ, Singh N, O'malley PJ, Popelier PL
2006
PubMed
Bioorganic & medicinal chemistry letters
The Fe-CO bond energy in myoglobin: a QM/MM study of the effect of tertiary structure.
Strickland N, Mulholland AJ, Harvey JN
2006
PubMed
Biophysical journal
The hydration structure of 18-crown-6/K+ complex as studied by Monte Carlo simulation using ab initio fitted potential.
Krongsuk S, Kerdcharoen T, Hannongbua S
2006
PubMed
Journal of molecular graphics & modelling
Triple-quantum correlation NMR experiments in solids using J-couplings.
Fayon F, Roiland C, Emsley L, Massiot D
2006
PubMed
Journal of magnetic resonance (San Diego, Calif. : 1997)
Quantum systems with effective and time-dependent masses: form-preserving transformations and reality conditions
Schulze-Halberg Axel
2005
DOAJ
Open Physics
Comparison of visual grading analysis and determination of detective quantum efficiency for evaluating system performance in digital chest radiography.
Sund P, Båth M, Kheddache S, Månsson LG
2004
PubMed
European radiology