Related papers: Calculating Vibronic Spectra with a linear algorit…

BosonSampling is a quantum mechanical task involving Fock basis state preparation and detection and evolution using only linear interactions. A classical algorithm for producing samples from this quantum task cannot be efficient unless the…

Gaussian boson sampling is a promising model for demonstrating quantum computational supremacy, which eases the experimental challenge of the standard boson-sampling proposal. Here by analyzing the computational costs of classical…

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…

A novel approach for calibrating quantum-chemical properties determined as part of a high-throughput virtual screen to experimental analogs is presented. Information on the molecular graph is extracted through the use of extended…

Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…

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…

We propose the simulation of quantum-optical systems in the ultrastrong-coupling regime using a variational quantum algorithm. More precisely, we introduce a short-depth variational form to prepare the groundstate of the multimode Dicke…

Molecular dynamics simulations are a central computational methodology in materials design for relating atomic composition to mechanical properties. However, simulating materials with atomic-level resolution on a macroscopic scale is…

In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…

Boson sampling is a well-defined task that is strongly believed to be intractable for classical computers, but can be efficiently solved by a specific quantum simulator. However, an outstanding problem for large-scale experimental boson…

An algebraic model of Boson-realization is proposed to study the vibrational spectra of a tetrahedral molecule, where ten sets of boson creation and annihilation operators are used to construct the Hamiltonian with $T_{d}$ symmetry. There…

Many developing quantum technologies make use of quantum networks of different types. Even linear quantum networks are nontrivial, as the output photon distributions can be exponentially complex. Despite this, they can still be…

Photon losses are among the strongest imperfections affecting multi-photon interference. Despite their importance, little is known about their effect on boson sampling experiments. In this work we show that using classical computers, one…

We aim to automatize the identification of collective variables to simplify and speed up enhanced sampling simulations of conformational dynamics in biomolecules. We focus on anharmonic low-frequency vibrations that exhibit fluctuations on…

Accurate vibrational spectra are essential for understanding how molecules behave, yet their computation remains challenging and benchmark data to reliably compare different methods are sparse. Here, we present high-accuracy eigenstate…

Boson sampling is a key candidate for demonstrating quantum advantage, and has already yielded significant advances in quantum simulation, machine learning, and graph theory. In this work, a unification and extension of distinct forms of…

Vibrational spectra of condensed and gas-phase systems containing light nuclei are influenced by their quantum-mechanical behaviour. The quantum dynamics of light nuclei can be approximated by the imaginary time path integral (PI)…

Genomic signal processing has been used successfully in bioinformatics to analyze biomolecular sequences and gain varied insights into DNA structure, gene organization, protein binding, sequence evolution, etc. But challenges remain in…

We suggest a novel scheme for generating multimode squeezed states for the boson sampling implementation. The idea is to replace a commonly used linear interferometer by a multimode resonator containing a passive optical element consisting…

Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…