Related papers: Quantum Resources Required for Binding Affinity Ca…
It is an established fact that entanglement is a resource. Sharing an entangled state leads to non-local correlations and to violations of Bell inequalities. Such non-local correlations illustrate the advantage of quantum resources over…
We present a quantum-in-quantum embedding strategy coupled to machine learning potentials to improve on the accuracy of quantum-classical hybrid models for the description of large molecules. In such hybrid models, relevant structural…
Quantum reservoir computing is a computing approach which aims at utilising the complexity and high-dimensionality of small quantum systems, together with the fast trainability of reservoir computing, in order to solve complex tasks. The…
We present straightforward proofs of estimates used in the adiabatic approximation. The gap dependence is analyzed explicitly. We apply the result to interpolating Hamiltonians of interest in quantum computing.
The accurate theoretical description of materials with strongly correlated electrons is a formidable challenge in condensed matter physics and computational chemistry. Dynamical Mean Field Theory (DMFT) is a successful approach that…
Quantum memories are essential for quantum repeaters that will form the backbone of the future quantum internet. Such memory can capture a signal state for a controllable amount of time after which this state can be retrieved. In this work,…
The accurate prediction of protein-ligand binding affinities is crucial for drug discovery. Alchemical free energy calculations have become a popular tool for this purpose. However, the accuracy and reliability of these methods can vary…
The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…
Quantum computing has been increasingly applied in nuclear physics. In this work, we combine quantum computing with the complex scaling method to address the resonance problem. Due to the non-Hermiticity introduced by complex scaling,…
Metal ions, including copper and zinc, have been implicated in the pathogenesis of Alzheimers disease through a variety of mechanisms including increased amyloid \b{eta} affinity and redox effects. Recent reports have demonstrated that the…
Alzheimer's disease (AD) is a prominent, worldwide, age-related neurodegenerative disease that currently has no systemic treatment. Strong evidence suggests that permeable amyloid-beta peptide (Abeta) oligomers, astrogliosis and reactive…
Drug discovery is lengthy and expensive, with traditional computer-aided design facing limits. This paper examines integrating quantum computing across the drug development cycle to accelerate and enhance workflows and rigorous…
Quantum fidelity estimation is essential for benchmarking quantum states and processes on noisy quantum devices. While stabilizer operations form the foundation of fault-tolerant quantum computing, non-stabilizer resources further enable…
Heart disease morbidity and mortality rates are increasing, which has a negative impact on public health and the global economy. Early detection of heart disease reduces the incidence of heart mortality and morbidity. Recent research has…
In this perspective we describe the critical role membranes play in modulating the structures of the Amyloid Precursor Proteins to produce the peptides involved in the Alzheimer's disease. Some of the key concepts related to protein…
The behaviour of molecules in space is to a large extent governed by where they freeze out or sublimate. The molecular binding energy is thus an important parameter for many astrochemical studies. This parameter is usually determined with…
Quantum thermodynamic uncertainty relations establish fundamental trade-offs between the precision achievable in quantum systems and associated thermodynamic quantities such as entropy production or dynamical activity. While foundational,…
Cardiac amyloidosis (CA) is a rare cardiomyopathy, with typical abnormalities in clinical measurements from echocardiograms such as reduced global longitudinal strain of the myocardium. An alternative approach for detecting CA is via neural…
Quantum information processing offers promising advances for a wide range of fields and applications, provided that we can efficiently assess the performance of the control applied in candidate systems. That is, we must be able to determine…
Protein amyloidosis is a cytopathological process characterized by the formation of highly beta-sheet-rich fibrils. How this process occurs and how to prevent/treat the associated diseases are not completely understood. Here, we carry out a…