Quantum Simulation

13 papers for year 2011 from PubMed

Quantum Simulation Research Context

This category collects papers on quantum simulation methods for chemistry, materials, many-body systems, condensed matter, and physics models.

Showing 1-12 of 13

A mixture model for quantum dot images of kinesin motor assays.

Hughes J, Fricks J

2011 PubMed Biometrics

Angular scattering using parameterized S matrix elements for the H + D2(v(i) = 0, j(i) = 0) → HD(v(f) = 3, j(f) = 0) + D reaction: an example of Heisenberg's S matrix programme.

Shan X, Connor JN

2011 PubMed Physical chemistry chemical physics : PCCP

Chemical shift tensors: theory and application to molecular structural problems.

Facelli JC

2011 PubMed Progress in nuclear magnetic resonance spectroscopy

Computational characterization of reaction intermediates in the photocycle of the sensory domain of the AppA blue light photoreceptor.

Khrenova MG, Domratcheva T, Schlichting I, Grigorenko BL, Nemukhin AV

2011 PubMed Photochemistry and photobiology

Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonyls.

Alagona G, Lazzaroni R, Ghio C

2011 PubMed Journal of molecular modeling

Conformational transitions of glycine induced by vibrational excitation of the O-H stretch.

Shmilovits-Ofir M, Miller Y, Gerber RB

2011 PubMed Physical chemistry chemical physics : PCCP

Density functional theory combined with molecular mechanics: the infrared spectra of flavin in solution.

Rieff B, Mathias G, Bauer S, Tavan P

2011 PubMed Photochemistry and photobiology

Did CDM particles of mass 2.47 x 10(-3) eV interact with precursor biopolymers and nucleic acids to initiate and boost lifeforms on Earth?

Rosen G

2011 PubMed Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life

Effect of medium chirality on the rate of resonance energy transfer.

Rodriguez JJ, Salam A

2011 PubMed The journal of physical chemistry. B

Electronic ground states and vibrational frequency shifts of diatomic ligands in heme adducts.

Liu Y, Sun H

2011 PubMed Journal of computational chemistry

In vivo and real-time measurement of magnetic nanoparticles distribution in animals by scanning SQUID biosusceptometry for biomedicine study.

Chieh JJ, Tseng WK, Horng HE, Hong CY, Yang HC, Wu CC

2011 PubMed IEEE transactions on bio-medical engineering

Protein dynamics and enzyme catalysis: insights from simulations.

McGeagh JD, Ranaghan KE, Mulholland AJ

2011 PubMed Biochimica et biophysica acta