Related papers: Simulating Molecular Spectroscopy with Circuit Qua…
Quantum mechanical phenomena, such as electronic coherence and entanglement, play a key role in achieving the unrivalled efficiencies of light-energy conversion in natural photosynthetic light-harvesting complexes, and triggered the growing…
Quantitative Structure-Activity Relationship (QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This research proposes enhancing…
Quantum entanglement has emerged as a great resource for interactions between molecules and radiation. We propose a new paradigm of stimulated Raman scattering with entangled photons. A quantum ultrafast Raman spectroscopy is developed for…
Numerical simulation is an important method for verifying the quantum circuits used to simulate low-energy nuclear states. However, real-world applications of quantum computing for nuclear theory often generate deep quantum circuits that…
We demonstrate tunneling spectroscopy of synthetic quantum matter in superconducting circuit lattices. We measure site-resolved excitation spectra by coupling the lattice to engineered driven-dissipative particle baths that serve as local…
Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…
Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…
X-ray spectroscopy is a powerful technique for the analysis of the energy distribution of X-rays from astrophysical sources. It allows for the study of the properties, composition, and physical processes taking place at the site of…
Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…
We show that molecular spin qudits provide an ideal platform to simulate the quantum dynamics of photon fields strongly interacting with matter. The basic unit of the proposed molecular quantum simulator can be realized by a simple dimer of…
Modelling of photonic devices traditionally involves solving the equations of light-matter interaction and light propagation, and it is restrained by their applicability. Here we demonstrate an alternative modelling methodology by creating…
In recent years, applications of quantum simulation have been developed to study properties of strongly interacting theories. This has been driven by two factors: on the one hand, needs from theorists to have access to physical observables…
Raman spectroscopy is widely used across scientific domains to characterize the chemical composition of samples in a non-destructive, label-free manner. Many applications entail the unmixing of signals from mixtures of molecular species to…
We report on spectra of circuit-quantum-electrodynamics (QED) systems in an intermediate regime that lies between the ultrastrong and deep-strong-coupling regimes, which have been reported previously in the literature. Our experimental…
There has been tremendous progress in the physical realization of quantum computing hardware in recent times, bringing us closer than ever before to realizing the promise of quantum computing. However, noise continues to pose a crucial…
We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed…
Recent technological advances may lead to the development of small scale quantum computers capable of solving problems that cannot be tackled with classical computers. A limited number of algorithms has been proposed and their relevance to…
Quantum computers are expected to give major speed-ups for the simulation of quantum systems. In this work, we present quantum gates that simulate the colour part of the interactions of quarks and gluons in perturbative quantum…
Simulating quantum systems using classical computing equipment has been a significant research focus. This work demonstrates that circuits as large and complex as the random circuit sampling (RCS) circuits published as a part of Google's…
We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmonic intensities. This is achieved from semiclassical power…