Related papers: Quantum-machine-assisted Drug Discovery
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…
Recent advances in quantum computing have brought us closer to realizing the potential of this transformative technology. While significant strides have been made in quantum error correction, many challenges persist, particularly in the…
Quantum computing is rapidly emerging as a promising technology for solving complex optimization problems that arise in various engineering fields. Therefore, it holds significant promise to transform the computational foundations of power…
Programming for today's quantum computers is making significant strides toward modern workflows compatible with high performance computing (HPC), but fundamental challenges still remain in the integration of these vastly different…
Quantum computing is a game-changing technology for global academia, research centers and industries including computational science, mathematics, finance, pharmaceutical, materials science, chemistry and cryptography. Although it has seen…
Quantum computing technology is advancing rapidly. Yet, even accounting for these trends, a quantum leap would be needed for quantum computers to meaningfully impact deep learning over the coming decade or two. We arrive at this conclusion…
Quantum computers are becoming real, and they have the inherent potential to significantly impact many application domains. We sketch the basics about programming quantum computers, showing that quantum programs are typically hybrid…
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…
Quantum computing has shown promise for solving complex optimization problems in databases, such as join ordering and index selection. Prior work often submits formulated problems directly to black-box quantum or quantum-inspired solvers…
The magnificence grandeur of quantum computing lies in the inherent nature of quantum particles to exhibit true parallelism, which can be realized by indubitably fascinating theories of quantum physics. The possibilities opened by quantum…
The rapid and successful strides in quantum chemistry in the past decades can be largely credited to a conspicuous synergy between theoretical and computational advancements. However, the architectural computer archetype that enabled such a…
The complexity of large-scale 6G-and-beyond networks demands innovative approaches for multi-objective optimization over vast search spaces, a task often intractable. Quantum computing (QC) emerges as a promising technology for efficient…
Quantum computing exhibits the unique capability to natively and efficiently encode various natural phenomena, promising theoretical speedups of several orders of magnitude. However, not all computational tasks can be efficiently executed…
Recently, increased computational power and data availability, as well as algorithmic advances, have led machine learning techniques to impressive results in regression, classification, data-generation and reinforcement learning tasks.…
The complexity of biological systems, governed by molecular interactions across hierarchical scales, presents a challenge for computational modeling. While advances in multiomic profiling have enabled precise measurements of biological…
Artificial intelligence (AI) has sparked immense interest in drug discovery, but most current approaches only digitize existing high-throughput experiments. They remain constrained by conventional pipelines. As a result, they do not address…
Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or…
Quantum circuit simulation is crucial for the development of quantum algorithms, particularly given the high cost and noise limitations of physical quantum hardware. While full-state quantum circuit simulation is commonly employed for…
Quantum computing applications are an emerging field in high-energy physics. Its ambitious fusion with artificial intelligence is expected to deliver significant efficiency gains over existing methods and/or enable computation from a…
This paper explores the transformative potential of quantum computing in the realm of personalized learning. Traditional machine learning models and GPU-based approaches have long been utilized to tailor educational experiences to…