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<titleInfo><title>Bridging chemistry and Gaussian boson sampling: a photonic hierarchy of approximations for molecular vibronic spectra</title></titleInfo>


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<name type="personal">
  <namePart type="given">Jan-Lucas</namePart>
  <namePart type="family">Eickmann</namePart>
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  <namePart type="given">Kai-Hong</namePart>
  <namePart type="family">Luo</namePart>
  <role><roleTerm type="text">author</roleTerm> </role><identifier type="local">36389</identifier><description xsi:type="identifierDefinition" type="orcid">0000-0003-1008-4976</description></name>
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  <namePart type="given">Mikhail</namePart>
  <namePart type="family">Roiz</namePart>
  <role><roleTerm type="text">author</roleTerm> </role><identifier type="local">114114</identifier></name>
<name type="personal">
  <namePart type="given">Jonas</namePart>
  <namePart type="family">Lammers</namePart>
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  <namePart type="given">Simone</namePart>
  <namePart type="family">Atzeni</namePart>
  <role><roleTerm type="text">author</roleTerm> </role><identifier type="local">98338</identifier></name>
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  <namePart type="given">Cheeranjiv</namePart>
  <namePart type="family">Pandey</namePart>
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  <namePart type="given">Florian</namePart>
  <namePart type="family">Lütkewitte</namePart>
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  <namePart type="given">Reza G.</namePart>
  <namePart type="family">Shirazi</namePart>
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  <namePart type="given">Fabian</namePart>
  <namePart type="family">Schlue</namePart>
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  <namePart type="given">Benjamin</namePart>
  <namePart type="family">Brecht</namePart>
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  <namePart type="given">Vladimir V.</namePart>
  <namePart type="family">Rybkin</namePart>
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<name type="personal">
  <namePart type="given">Michael</namePart>
  <namePart type="family">Stefszky</namePart>
  <role><roleTerm type="text">author</roleTerm> </role><identifier type="local">42777</identifier></name>
<name type="personal">
  <namePart type="given">Christine</namePart>
  <namePart type="family">Silberhorn</namePart>
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  <namePart>PhoQuant: Photonische Quantencomputer -  Quantencomputing Testplattform</namePart>
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<abstract lang="eng">Simulating vibronic spectra is a central task in physical chemistry, offering insight into important properties of molecules. Recently, it has been experimentally demonstrated that photonic platforms based on Gaussian boson sampling (GBS) are capable of performing these simulations. However, whether an actual GBS approach is required depends on the molecule under investigation. To develop a better understanding on the requirements for simulating vibronic spectra, we explore connections between theoretical approximations in physical chemistry and their photonic counterparts. Mapping these approximations into photonics, we show that for certain molecules the GBS approach is unnecessary. We place special emphasis on the linear coupling approximation, which in photonics corresponds to sampling from multiple coherent states. By implementing this approach in experiments, we demonstrate improved similarities over previously reported GBS results for formic acid and identify the particular attributes that a molecule must exhibit for this, and other approximations, to be valid. These results highlight the importance in forming deeper connections between traditional methods and photonic approaches.</abstract>

<originInfo><publisher>Springer Science and Business Media LLC</publisher><dateIssued encoding="w3cdtf">2026</dateIssued>
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<relatedItem type="host"><titleInfo><title>npj Quantum Information</title></titleInfo>
  <identifier type="issn">2056-6387</identifier><identifier type="doi">10.1038/s41534-026-01250-x</identifier>
<part><detail type="volume"><number>12</number></detail><detail type="issue"><number>1</number></detail>
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     <url>https://doi.org/10.5281/zenodo.18969354</url>
  
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<short>J.-L. Eickmann, K.-H. Luo, M. Roiz, J. Lammers, S. Atzeni, C. Pandey, F. Lütkewitte, R.G. Shirazi, F. Schlue, B. Brecht, V.V. Rybkin, M. Stefszky, C. Silberhorn, Npj Quantum Information 12 (2026).</short>
<chicago>Eickmann, Jan-Lucas, Kai-Hong Luo, Mikhail Roiz, Jonas Lammers, Simone Atzeni, Cheeranjiv Pandey, Florian Lütkewitte, et al. “Bridging Chemistry and Gaussian Boson Sampling: A Photonic Hierarchy of Approximations for Molecular Vibronic Spectra.” &lt;i&gt;Npj Quantum Information&lt;/i&gt; 12, no. 1 (2026). &lt;a href=&quot;https://doi.org/10.1038/s41534-026-01250-x&quot;&gt;https://doi.org/10.1038/s41534-026-01250-x&lt;/a&gt;.</chicago>
<apa>Eickmann, J.-L., Luo, K.-H., Roiz, M., Lammers, J., Atzeni, S., Pandey, C., Lütkewitte, F., Shirazi, R. G., Schlue, F., Brecht, B., Rybkin, V. V., Stefszky, M., &amp;#38; Silberhorn, C. (2026). Bridging chemistry and Gaussian boson sampling: a photonic hierarchy of approximations for molecular vibronic spectra. &lt;i&gt;Npj Quantum Information&lt;/i&gt;, &lt;i&gt;12&lt;/i&gt;(1), Article 89. &lt;a href=&quot;https://doi.org/10.1038/s41534-026-01250-x&quot;&gt;https://doi.org/10.1038/s41534-026-01250-x&lt;/a&gt;</apa>
<ieee>J.-L. Eickmann &lt;i&gt;et al.&lt;/i&gt;, “Bridging chemistry and Gaussian boson sampling: a photonic hierarchy of approximations for molecular vibronic spectra,” &lt;i&gt;npj Quantum Information&lt;/i&gt;, vol. 12, no. 1, Art. no. 89, 2026, doi: &lt;a href=&quot;https://doi.org/10.1038/s41534-026-01250-x&quot;&gt;10.1038/s41534-026-01250-x&lt;/a&gt;.</ieee>
<ama>Eickmann J-L, Luo K-H, Roiz M, et al. Bridging chemistry and Gaussian boson sampling: a photonic hierarchy of approximations for molecular vibronic spectra. &lt;i&gt;npj Quantum Information&lt;/i&gt;. 2026;12(1). doi:&lt;a href=&quot;https://doi.org/10.1038/s41534-026-01250-x&quot;&gt;10.1038/s41534-026-01250-x&lt;/a&gt;</ama>
<bibtex>@article{Eickmann_Luo_Roiz_Lammers_Atzeni_Pandey_Lütkewitte_Shirazi_Schlue_Brecht_et al._2026, title={Bridging chemistry and Gaussian boson sampling: a photonic hierarchy of approximations for molecular vibronic spectra}, volume={12}, DOI={&lt;a href=&quot;https://doi.org/10.1038/s41534-026-01250-x&quot;&gt;10.1038/s41534-026-01250-x&lt;/a&gt;}, number={189}, journal={npj Quantum Information}, publisher={Springer Science and Business Media LLC}, author={Eickmann, Jan-Lucas and Luo, Kai-Hong and Roiz, Mikhail and Lammers, Jonas and Atzeni, Simone and Pandey, Cheeranjiv and Lütkewitte, Florian and Shirazi, Reza G. and Schlue, Fabian and Brecht, Benjamin and et al.}, year={2026} }</bibtex>
<mla>Eickmann, Jan-Lucas, et al. “Bridging Chemistry and Gaussian Boson Sampling: A Photonic Hierarchy of Approximations for Molecular Vibronic Spectra.” &lt;i&gt;Npj Quantum Information&lt;/i&gt;, vol. 12, no. 1, 89, Springer Science and Business Media LLC, 2026, doi:&lt;a href=&quot;https://doi.org/10.1038/s41534-026-01250-x&quot;&gt;10.1038/s41534-026-01250-x&lt;/a&gt;.</mla>
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