相关论文: Quantum Computing for Electronic Circular Dichrois…
We develop a framework for simulating measure-preserving, ergodic dynamical systems on a quantum computer. Our approach provides a new operator-theoretic representation of classical dynamics by combining ergodic theory with quantum…
Quantum error correction (QEC) is an essential concept for any quantum information processing device. Typically, QEC is designed with minimal assumptions about the noise process; this generic assumption exacts a high cost in efficiency and…
Intensity enhancement in vibrational circular dichroism (VCD) arises in open-shell transition metal complexes from coupling between ground-state vibrational transitions and magnetic dipole-allowed transitions to low-lying excited states…
Electromagnetic cascades attract a lot of attention as an important QED effect that will reveal itself in various electromagnetic field configurations at ultrahigh intensities. We study cascade dynamics in rotating electric field…
Chiral and axial materials offer platforms for intriguing phenomena, such as cross-correlated responses and chirality-induced spin selectivity. However, quantifying the properties of such materials has generally been considered challenging.…
The accurate treatment of electron correlation in extended molecular systems remains computationally challenging using classical electronic structure methods. Hybrid quantum-classical algorithms offer a potential route to overcome these…
Recent years have seen unprecedented advance in the design and control of quantum computers. Nonetheless, their applicability is still restricted and access remains expensive. Therefore, a substantial amount of quantum algorithms research…
In this work we derive sum rules for orbital angular momentum(OAM) resolved electron magnetic chiral dichroism (EMCD) which enable the evaluation of the strength of spin and orbital components of the atomic magnetic moments in a crystalline…
We demonstrate coherent control over the photoelectron circular dichroism in randomly oriented chiral molecules, based on quantum interference between multiple photoionization pathways. To significantly enhance the chiral signature, we use…
Achieving reliable performance on early fault-tolerant quantum hardware will depend on protocols that manage noise without incurring prohibitive overhead. We propose a novel framework that integrates quantum computation with the…
Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…
We use the benefits and components of classical computers every day. However, there are many types of problems which, as they grow in size, their computational complexity grows larger than classical computers will ever be able to solve.…
Quantum chemistry calculations such as the prediction of molecular properties and modeling of chemical reactions are a few of the critical areas where near-term quantum computers can showcase quantum advantage. We present a method to…
Machine learning (ML) plays an important role in quantum chemistry, providing fast-to-evaluate predictive models for various properties of molecules. However, most existing ML models for molecular electronic properties use density…
Electrocardiogram (ECG) signals play critical roles in the clinical screening and diagnosis of many types of cardiovascular diseases. Despite deep neural networks that have been greatly facilitated computer-aided diagnosis (CAD) in many…
We present a concise but complete conceptual treatment of quantum computing implemented with Cavity Quantum Electrodynamics (CQED. The paper is intended as a brief overview for professionals who are coming over to the field from other areas…
Quantum chemistry provides key applications for near-term quantum computing, but these are greatly complicated by the presence of noise. In this work we present an efficient ansatz for the computation of two-electron atoms and molecules…
Circular dichroism (CD) induced by spin angular momentum of light is vital to investigate the chirality of microscopic objects such as molecules, proteins and metamaterials. However, orbital angular momentum (OAM) of light failed to…
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…
The photoionization of chiral molecules prepared in a coherent superposition of excited states can give access to the underlying chiral coherent dynamics in a procedure known as photoexcitation induced photoelectron circular dichroism…