Quantum Simulation

12,287 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 11917-11928 of 12,287

Self-Consistent-Field Method and $τ$-Functional Method on Group Manifold in Soliton Theory: a Review and New Results

Seiya Nishiyama, Joao da Providencia, Constanca Providencia, Flavio Cordeiro, Takao Komatsu

2009 arXiv arXiv preprint

Spectral Singularities of Complex Scattering Potentials and Infinite Reflection and Transmission Coefficients at real Energies

Ali Mostafazadeh

2009 arXiv arXiv preprint

Spectral Singularities, Biorthonormal Systems, and a Two-Parameter Family of Complex Point Interactions

Ali Mostafazadeh, Hossein Mehri-Dehnavi

2009 arXiv arXiv preprint

Teaching the foundations of quantum mechanics in secondary school: a proposed conceptual structure

Maria de los Angeles Fanaro, Maria Rita Otero, Marcelo Arlego

2009 DOAJ Investigações em Ensino de Ciências

The post-SCF quantum chemistry characteristics of inter- and intra-strand stacking interactions in d(CpG) and d(GpC) steps found in B-DNA, A-DNA and Z-DNA crystals.

Cysewski P

2009 PubMed Journal of molecular modeling

The propagator for the step potential using the path decomposition expansion

James M. Yearsley

2009 arXiv arXiv preprint

UV-vis absorption spectra of 1,4-dialkoxy-2,5-bis[2-(thien-2-yl)ethenyl]benzenes.

Fuks-Janczarek I, Reshak AH, Kuźnik W, Kityk IV, Gabański R, Lapkowski M, Motyka R, Suwiński J

2009 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

A DFT study on the vibrational spectroscopy of protoporphyrin IX.

Billes F, Várady B

2008 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

A quantum mechanic/molecular mechanic study of the wild-type and N155S mutant HIV-1 integrase complexed with diketo acid.

Alves CN, Martí S, Castillo R, Andrés J, Moliner V, Tuñón I, Silla E

2008 PubMed Biophysical journal

A study in the computation time required for the inclusion of strain field effects in Bloch-wave simulations of TEM diffraction contrast images.

Dulong BJ, Haynes RD, Robertson MD

2008 PubMed Ultramicroscopy

Ab initio study of ground state MH2, HMHe+ and MHe2(2+), M = Mg, Ca.

Page AJ, von Nagy-Felsobuki EI

2008 PubMed Physical chemistry chemical physics : PCCP

Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels. AM1/DFT electronic structure investigations and QSAR studies.

Turabekova MA, Rasulev BF, Levkovich MG, Abdullaev ND, Leszczynski J

2008 PubMed Computational biology and chemistry