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Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…

Quantum Physics · Physics 2025-04-29 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

Recent advances in quantum information and quantum science have inspired the development of various compact dynamic structured ans\"{a}tze that are expected to be realizable in the Noisy Intermediate-Scale Quantum (NISQ) devices. However,…

Quantum Physics · Physics 2024-03-18 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

The development of various dynamic ansatz-constructing techniques has ushered in a new era, rendering the practical exploitation of Noisy Intermediate-Scale Quantum (NISQ) hardware for molecular simulations increasingly viable. However,…

Quantum Physics · Physics 2023-10-13 Sonaldeep Halder , Anish Dey , Chinmay Shrikhande , Rahul Maitra

The Quantum Approximate Optimization Algorithm and its generalization to Quantum Alternating Operator Ansatz (QAOA) is a promising approach for applying quantum computers to challenging problems such as combinatorial optimization and…

Quantum Physics · Physics 2023-07-25 Vladimir Kremenetski , Anuj Apte , Tad Hogg , Stuart Hadfield , Norm M. Tubman

Recent advancements in quantum information and quantum technology has stimulated a good deal of interest in the development of quantum algorithms for energetics and properties of many-fermionic systems. While the variational quantum…

Quantum Physics · Physics 2023-02-08 Dibyendu Mondal , Sonaldeep Halder , Dipanjali Halder , Rahul Maitra

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Proposals for quantum computing devices are many and varied. They each have unique noise processes that make none of them fully reliable at this time. There are several error correction/avoidance techniques which are valuable for reducing…

Quantum Physics · Physics 2015-06-26 Mark S. Byrd , Daniel A. Lidar

Unitary and non-unitary diagonal operators are fundamental building blocks in quantum algorithms with applications in the resolution of partial differential equations, Hamiltonian simulations, the loading of classical data on quantum…

Quantum Physics · Physics 2025-01-22 Julien Zylberman , Ugo Nzongani , Andrea Simonetto , Fabrice Debbasch

An accurate description of strong correlation is quintessential for the exploration of emerging chemical phenomena. While near-term variational quantum algorithms provide a theoretically scalable framework for quantum chemical problems, the…

Quantum Physics · Physics 2025-10-20 Arpan Choudhury , Sonaldeep Halder , Rahul Maitra , Debashree Ghosh

Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…

Quantum Physics · Physics 2019-07-16 Harper R. Grimsley , Sophia E. Economou , Edwin Barnes , Nicholas J. Mayhall

Algorithms based on non-unitary evolution have attracted much interest for ground state preparation on quantum computers. One recently proposed method makes use of ancilla qubits and controlled unitary operators to implement weak…

Quantum Physics · Physics 2025-12-25 Tobias Stollenwerk , Stuart Hadfield

Determining the exponentially scaled ground state wavefunction and the associated molecular properties remains one of the central challenges in quantum chemistry. Hybrid quantum-classical algorithms implemented on quantum computers offer a…

Quantum Physics · Physics 2026-04-22 Dibyendu Mondal , Ashish Kumar Patra , Rahul Maitra

Variational quantum algorithms constitute one of the most widespread methods for using current noisy quantum computers. However, it is unknown if these heuristic algorithms provide any quantum-computational speedup, although we cannot…

Quantum computing holds the potential to revolutionize various fields by efficiently tackling complex problems. At its core are quantum circuits, sequences of quantum gates manipulating quantum states. The selection of the right quantum…

Software Engineering · Computer Science 2024-06-13 Xiaoyu Guo , Takahiro Muta , Jianjun Zhao

Quantum computing promises to revolutionize various fields, yet the execution of quantum programs necessitates an effective compilation process. This involves strategically mapping quantum circuits onto the physical qubits of a quantum…

Quantum Physics · Physics 2024-12-19 Tian Li , Xiao-Yue Xu , Chen Ding , Tian-Ci Tian , Wei-You Liao , Shuo Zhang , He-Liang Huang

The next few years will be exciting as prototype universal quantum processors emerge, enabling implementation of a wider variety of algorithms. Of particular interest are quantum heuristics, which require experimentation on quantum hardware…

Quantum simulation, one of the most promising applications of a quantum computer, is currently being explored intensely using the variational quantum eigensolver. The feasibility and performance of this algorithm depend critically on the…

Variational quantum algorithms (VQAs) have shown strong evidences to gain provable computational advantages for diverse fields such as finance, machine learning, and chemistry. However, the heuristic ansatz exploited in modern VQAs is…

In the field of quantum chemistry, the variational quantum eigensolver (VQE) has emerged as a highly promising approach to determine molecular energies and properties within the noisy intermediate-scale quantum (NISQ) era. The central…

Quantum Physics · Physics 2025-10-20 Dibyendu Mondal , Debaarjun Mukherjee , Rahul Maitra

Performing experiments on small-scale quantum computers is certainly a challenging endeavor. Many parameters need to be optimized to achieve high-fidelity operations. This can be done efficiently for operations acting on single qubits as…

Quantum Physics · Physics 2016-08-31 M. Müller , A. Rivas , E. A. Martínez , D. Nigg , P. Schindler , T. Monz , R. Blatt , M. A. Martin-Delgado
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