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Related papers: Quantum Computing for Molecular Vibronic Spectra a…

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Boson sampling is a simple model for non-universal linear optics quantum computing using far fewer physical resources than universal schemes. An input state comprising vacuum and single photon states is fed through a Haar-random linear…

Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing…

Quantum Physics · Physics 2019-08-15 Alexander Teplukhin , Brian K. Kendrick , Dmitri Babikov

We discuss semiempirical approaches and parametric methods developed for modeling molecular vibronic spectra. These methods, together with databases of molecular fragments, have proved efficient and flexible for solving various problems…

Chemical Physics · Physics 2007-05-23 S. A. Astakhov , V. I. Baranov , L. A. Gribov

We study supervised learning algorithms in which a quantum device is used to perform a computational subroutine - either for prediction via probability estimation, or to compute a kernel via estimation of quantum states overlap. We design…

Quantum Physics · Physics 2021-07-07 Ulysse Chabaud , Damian Markham , Adel Sohbi

We give a full description of the problem of Multi-Boson Correlation Sampling (MBCS) at the output of a random interferometer for single input photons in arbitrary multimode pure states. The MBCS prob- lem is the task of sampling at the…

Quantum Physics · Physics 2016-03-23 Vincenzo Tamma , Simon Laibacher

In this work, we give a hybrid quantum-classical algorithm for solving electronic structure problems of molecules using only linear quantum optical systems. The variational ansatz we proposed is a hybrid of non-interacting Boson dynamics…

Computing the state of a quantum mechanical many-body system composed of indistinguishable particles distributed over a multitude of modes is one of the paradigmatic test cases of computational complexity theory: Beyond well-understood…

Gaussian boson sampling (GBS) is a variety of boson sampling overcoming the stable single-photon preparation difficulty of the later. However, like those in the original version, noises in GBS will also result in the deviation of output…

Quantum Physics · Physics 2026-05-19 Yang Ji , Yongzheng Wu , Shi Wang , Jie Hou , Zijian Wang , Bo Jiang

It is well known in quantum optics that any process involving the preparation of a multimode gaussian state, followed by a gaussian operation and gaussian measurements, can be efficiently simulated by classical computers. Here, we provide…

Quantum Physics · Physics 2025-08-22 Michael G. Jabbour , Leonardo Novo

Spectroscopy is the most important method for probing the structure of molecules. However, predicting molecular spectra on classical computers is computationally expensive, with the most accurate methods having a cost that grows…

Quantum Physics · Physics 2025-10-06 Liam P. Flew , Ivan Kassal

Boson sampling is a problem intractable for classical computers, but can be naturally solved on a specialized photonic quantum simulator which requires less resources than building a universal quantum computer. The biggest challenge to…

Bayesian calibration of black-box computer models offers an established framework to obtain a posterior distribution over model parameters. Traditional Bayesian calibration involves the emulation of the computer model and an additive model…

Machine Learning · Statistics 2018-10-30 Sébastien Marmin , Maurizio Filippone

Quantum computers solve intractable problems which classically require an exponentially long time to compute. With the development of large-scale experiments that claim quantum advantage, a vital issue has now emerged. What are the errors,…

Quantum Physics · Physics 2026-04-15 Ned Goodman , Alexander S. Dellios , Margaret D. Reid , Peter D. Drummond

We study the hardness of classically simulating Gaussian boson sampling at nonzero photon distinguishability. We find that similar to regular boson sampling, distinguishability causes exponential attenuation of the many-photon interference…

Quantum Physics · Physics 2020-07-08 Jelmer J. Renema

Methyl benzoate (MB) is studied as a model compound for the development of new IR pulse schemes with possible applicability to biomolecules. Anharmonic vibrational modes of MB are calculated on different level (MP2, SCS, CCSD(T) with…

Chemical Physics · Physics 2014-01-03 Kiran Sankar Maiti , Christoph Scheurer

It has become commonplace to use complex computer models to predict outcomes in regions where data does not exist. Typically these models need to be calibrated and validated using some experimental data, which often consists of multiple…

The continuous variable quantum computing platform constitutes a promising candidate for realizing quantum advantage, as exemplified in Gaussian Boson Sampling. While noise in the experiments makes the computation attainable for classical…

Quantum Physics · Physics 2025-08-11 Jonas Vinther , Michael James Kastoryano

Boson sampling is a problem for which quantum devices could prove to go beyond classical computing using only linear optics and photon preparation and counting. While theoretically important, there is a lack of practical applications for…

Quantum Physics · Physics 2019-12-09 Juan Carlos Garcia-Escartin

BosonSampling is a problem where a quantum computer offers a provable speedup over classical computers. Its main feature is that it can be solved with current linear optics technology, without the need for a full quantum computer. In this…

Quantum Physics · Physics 2015-03-06 Anthony Leverrier , Raúl García-Patrón

The boson sampling problem has triggered a lot of interest in the scientific community because of its potential of demonstrating the computational power of quantum interference without the need of non-linear processes. However, the…

Quantum Physics · Physics 2015-12-18 Vincenzo Tamma , Simon Laibacher