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Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…

Free energy calculations are at the heart of physics-based analyses of biochemical processes. They allow us to quantify molecular recognition mechanisms, which determine a wide range of biological phenomena from how cells send and receive…

We present a case study and forward-looking perspective on co-design for hybrid quantum-classical algorithms, centered on the goal of empirical quantum advantage (EQA), which we define as a measurable performance gain using quantum hardware…

Quantum Machine Learning (QML) offers a new paradigm for addressing complex financial problems intractable for classical methods. This work specifically tackles the challenge of few-shot credit risk assessment, a critical issue in inclusive…

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

Embedded quantum machine learning (EQML) seeks to bring quantum machine learning (QML) capabilities to resource-constrained edge platforms such as IoT nodes, wearables, drones, and cyber-physical controllers. In 2026, EQML is technically…

Machine Learning · Computer Science 2026-03-16 Somdip Dey , Syed Muhammad Raza

Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical counterparts. In the current Noisy Intermediate-Scale…

Chemical Physics · Physics 2026-01-13 Maitreyee Sarkar , Lisa Roy , Akash Gutal , Atul Kumar , Manikandan Paranjothy

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource…

Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…

Quantum Physics · Physics 2025-08-06 Erico Souza Teixeira , Lucas Barros Fernandes , Yara Rodrigues Inácio

Quantum Machine Learning (QML) is considered one of the most promising applications of Quantum Computing in the Noisy Intermediate Scale Quantum (NISQ) era for the impact it is thought to have in the near future. Although promising…

Quantum Physics · Physics 2025-08-22 Valeria Repetto , Elia Giuseppe Ceroni , Giuseppe Buonaiuto , Romina D'Aurizio

Accurately predicting protein-ligand binding free energies (BFEs) remains a central challenge in drug discovery, particularly because the most reliable methods, such as free energy perturbation (FEP), are computationally intensive and…

Chemical Physics · Physics 2025-12-09 Farzad Molani , Art E. Cho

Hybrid quantum-high performance computing (Q-HPC) workflows are emerging as a key strategy for running quantum applications at scale in current noisy intermediate-scale quantum (NISQ) devices. These workflows must operate seamlessly across…

Machine learning has blossomed in recent decades and has become essential in many fields. It significantly solved some problems in particle physics -- particle reconstruction, event classification, etc. However, it is now time to break the…

High Energy Physics - Experiment · Physics 2024-03-13 Abdualazem Fadol , Qiyu Sha , Yaquan Fang , Zhan Li , Sitian Qian , Yuyang Xiao , Yu Zhang , Chen Zhou

Due to the wide range of technical applications of actinide elements, a thorough understanding of their electronic structure could complement technological improvements in many different areas. Quantum computing could greatly aid in this…

Quantum machine learning has emerged as a promising approach for medical image analysis, particularly in settings where compact models and expressive feature representations are desired. This paper presents a hybrid classical--quantum…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Shabnam Sodagari , Tommy Long

The advent of quantum computing has opened new possibilities in data science, offering unique capabilities for addressing complex, data-intensive problems. Traditional machine learning algorithms often face challenges in high-dimensional or…

Quantum Physics · Physics 2025-02-13 Sanjeev Naguleswaran

Quantum computing has gained a lot of attention recently, and scientists have seen potential applications in this field using quantum computing for Cryptography and Communication to Machine Learning and Healthcare. Protein folding has been…

Quantum Physics · Physics 2022-11-16 Hasan Mustafa , Sai Nandan Morapakula , Prateek Jain , Srinjoy Ganguly

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…

Chemical Physics · Physics 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

Machine learning has been increasingly utilized in the field of biomedical research to accelerate the drug discovery process. In recent years, the emergence of quantum computing has been followed by extensive exploration of quantum machine…