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.

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All sources 9538 arXiv preprints 3983 Crossref 1363 OpenAlex 40 Europe PMC 203 PubMed 3568 DOAJ 381
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Showing 7141-7152 of 9,538

On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra

Tomislav Begušić, Julien Roulet, Jiří Vaníček

2018 arXiv arXiv preprint

Optimal control of interacting quantum systems based on the first-order Magnus approximation: Application to multiple dipole-dipole coupled molecular rotors

Andrew Ma, Alicia B. Magann, Tak-San Ho, Herschel Rabitz

2018 arXiv arXiv preprint

Optomechanical heat transfer between molecules in a nanoplasmonic cavity

S. Mahmoud Ashrafi, R. Malekfar, A. R. Bahrampour, Johannes Feist

2018 arXiv arXiv preprint

Oxidation of Ni<sub>13</sub> clusters

Gabriel R. Schleder, Adalberto Fazzio, Jeverson T. Arantes

2018 Crossref International Journal of Quantum Chemistry

Partially coherent quantum degenerate electron matter waves

Sam Keramati, Eric R. Jones, Jeremy Armstrong, Herman Batelaan

2018 arXiv arXiv preprint

Physical extrapolation of quantum observables by generalization with Gaussian Processes

Rodrigo A. Vargas-Hernández, Roman V. Krems

2018 arXiv arXiv preprint

Post-Sputtering Heat Treatments of Molybdenum on Silicon Wafer

Xuguang Jia, Ziyun Lin, Terry Chien-Jen Yang, Binesh Puthen-Veettil, Lingfeng Wu, Gavin Conibeer, Ivan Perez-Wurfl

2018 DOAJ Applied Sciences

Prediction of many-electron wavefunctions using atomic potentials: refinements and extensions to transition metals and large systems

Jerry L. Whitten

2018 arXiv arXiv preprint

Preparation and decay of a single quantum of vibration at ambient conditions

Santiago Tarrago Velez, Kilian Seibold, Nils Kipfer, Mitchell D. Anderson, Vivishek Sudhir, Christophe Galland

2018 arXiv arXiv preprint

Quadrupole Interaction of Non-diffracting Beams with Two-Level Atoms

Saud Al-Awfi, Smail Bougouffa

2018 arXiv arXiv preprint

Quantitative mobility evaluation of organic semiconductors using quantum dynamics based on density functional theory

Hiroyuki Ishii, Jun-ichi Inoue, Nobuhiko Kobayashi, Kenji Hirose

2018 Crossref Physical Review B

Quantum algorithm for calculating molecular vibronic spectra

Nicolas P. D. Sawaya, Joonsuk Huh

2018 arXiv arXiv preprint
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