Related papers: QREChem: Quantum Resource Estimation Software for …
Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…
The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…
Quantum computing provides a new way for approaching problem solving, enabling efficient solutions for problems that are hard on classical computers. It is based on leveraging how quantum particles behave. With researchers around the world…
Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era's…
It is widely recognized that quantum computing has profound impacts on multiple fields, including but not limited to cryptography, machine learning, materials science, etc. To run quantum algorithms, it is essential to develop scalable…
Quantitative chemistry is central to modern chemical research, yet the ability of large language models (LLMs) to perform its rigorous, step-by-step calculations remains underexplored. To fill this blank, we propose QCBench, a Quantitative…
Classical program analysis techniques, such as abstract interpretation and symbolic execution, are essential for ensuring software correctness, optimizing performance, and enabling compiler optimizations. However, these techniques face…
Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…
Quantum computers (QCs) are maturing. When QCs are powerful enough, they may be able to handle problems in chemistry, physics, and finance that are not classically solvable. However, the applicability of quantum algorithms to speed up…
Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver (VQE) algorithm. This hybrid quantum-classical algorithm aims at finding ground state solutions of molecular systems based on…
Realizing large-scale quantum advantage is expected to require quantum error correction (QEC), making the compilation and optimization of logical operations a critical area of research. Logical computation imposes distinct constraints and…
Assessing whether a noisy quantum device can potentially exhibit quantum advantage is essential for selecting practical quantum utility tasks that are not efficiently verifiable by classical means. For optimization, a prominent candidate…
Electronic structure calculations of molecular systems are among the most promising applications for fault-tolerant quantum computing (FTQC) in quantum chemistry and drug design. However, while recent algorithmic advancements such as…
Near-term quantum computers have been built as intermediate-scale quantum devices and are fragile against quantum noise effects, namely, NISQ devices. Traditional quantum-error-correcting codes are not implemented on such devices and to…
Quantum computers have the potential to provide an advantage over classical computers in a number of areas. Numerous metrics to benchmark the performance of quantum computers, ranging from their individual hardware components to entire…
Quantum computing is poised to solve practically useful problems which are computationally intractable for classical supercomputers. However, the current generation of quantum computers are limited by errors that may only partially be…
Quantum computing has the potential to provide exponential performance benefits in processing over classical computing. It utilizes quantum mechanics phenomena (such as superposition, entanglement, and interference) to solve a computational…
Quantum low-density parity-check (qLDPC) codes can achieve high encoding rates and good code distance scaling, providing a promising route to low-overhead fault-tolerant quantum computing. However, the long-range connectivity required to…
The quantum advantage threshold determines when a quantum processing unit (QPU) is more efficient with respect to classical computing hardware in terms of algorithmic complexity. The "green" quantum advantage threshold $-$ based on a…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…