相关论文: Simulating near-infrared spectroscopy on a quantum…
The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the…
An accurate treatment of the structures and dynamics that lead to enhanced chemical reactivity in enzymes requires explicit treatment of both electronic and nuclear quantum effects. The former can be captured in ab initio molecular dynamics…
Achieving chemical accuracy with shallow quantum circuits is a significant challenge in quantum computational chemistry, particularly for near-term quantum devices. In this work, we present a Clifford-based Hamiltonian engineering…
Infrared (IR) dyes, especially those within the near-infrared (NIR) spectrum, offer substantial advantages for in vivo imaging, owing to their deep tissue penetration and minimal background autofluorescence. Nanoparticles incorporating…
The use of mid-circuit measurement and qubit reset within quantum programs has been introduced recently and several applications demonstrated that perform conditional branching based on these measurements. In this work, we go a step further…
Neutral atom quantum processors provide a viable route to scalable quantum computing, with recent demonstrations of high-fidelity and parallel gate operations and initial implementation of quantum algorithms using both physical and logical…
Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…
Qudits, the multi-level generalization of qubits, provide a natural extension of the binary paradigm in quantum computation and offer new opportunities to enhance algorithmic performance. Beyond their direct applicability to the simulation…
Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…
A methodology to measure Near Infrared (NIR) scintillations in gaseous and liquid Ar, using Geiger-mode APDs (GAPDs) sensitive in the NIR and pulsed X-ray irradiation, is described. This study has been triggered by the development of…
Coordinate network or implicit neural representation (INR) is a fast-emerging method for encoding natural signals (such as images and videos) with the benefits of a compact neural representation. While numerous methods have been proposed to…
In the noisy intermediate-scale quantum (NISQ) era, quantum error mitigation (QEM) is essential for producing reliable outputs from quantum circuits. We present a statistical signal processing approach to QEM that estimates the most likely…
Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…
Infrared spectra obtained from cell or tissue specimen have commonly been observed to involve a significant degree of (resonant) Mie scattering, which often overshadows biochemically relevant spectral information by a non-linear,…
Chemical imaging based on mid-infrared (MIR) spectroscopic contrast is an important technique with a myriad of applications, including biomedical imaging and environmental monitoring. Current MIR cameras, however, lack in performance and…
The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…
Fourier-transform infrared spectroscopy (FTIR) has matured into a versatile technique with relevance for environmental monitoring, pharmaceutical research, and food safety applications. However, compared to other spectroscopic methods, it…
Analysis of chemical graphs is a major research topic in computational molecular biology due to its potential applications to drug design. One approach is inverse quantitative structure activity/property relationship (inverse QSAR/QSPR)…
Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational…
The "Noisy intermediate-scale quantum" NISQ machine era primarily focuses on mitigating noise, controlling errors, and executing high-fidelity operations, hence requiring shallow circuit depth and noise robustness. Approximate computing is…