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We demonstrate, numerically, the possibility of manipulating the spin states of molecular nanomagnets with shaped microwave pulses designed with quantum optimal control theory techniques. The state-to-state or full gate transformations can…

Quantum Physics · Physics 2021-12-01 Alberto Castro , Adrian Garcia Carrizo , David Zueco , Fernando Luis

Preparing molecules at rest and in a highly pure quantum state is a long standing dream in chemistry and physics, so far achieved only for a select set of molecules in dedicated experimental setups. Here, a quantum-limited combination of…

Quantum Physics · Physics 2015-05-30 D. Leibfried

Quantum algorithms for quantum dynamics simulations are traditionally based on implementing a Trotter-approximation of the time-evolution operator. This approach typically relies on deep circuits and is therefore hampered by the substantial…

Quantum Physics · Physics 2022-01-06 Alexander Miessen , Pauline J. Ollitrault , Ivano Tavernelli

We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected Variational Quantum Dynamics (pVQD) algorithm, that performs a global optimization with linear…

Quantum Physics · Physics 2025-02-20 David Linteau , Stefano Barison , Netanel Lindner , Giuseppe Carleo

Current quantum simulators suffer from multiple limitations such as short coherence time, noisy operations, faulty readout and restricted qubit connectivity in some platforms. Variational quantum algorithms are the most promising approach…

Quantum Physics · Physics 2023-05-31 Chufan Lyu , Xiaoyu Tang , Junning Li , Xusheng Xu , Man-Hong Yung , Abolfazl Bayat

This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…

Quantum Physics · Physics 2022-03-01 R. J. P. T. de Keijzer , V. E. Colussi , B. Škorić , S. J. J. M. F. Kokkelmans

The current generation of noisy intermediate scale quantum computers introduces new opportunities to study quantum many-body systems. In this paper, we show that quantum circuits can provide a dramatically more efficient representation than…

Quantum Physics · Physics 2021-03-24 Sheng-Hsuan Lin , Rohit Dilip , Andrew G. Green , Adam Smith , Frank Pollmann

We explore the application of quantum optimal control (QOC) techniques to state preparation of lattice field theories on quantum computers. As a first example, we focus on the Schwinger model, quantum electrodynamics in 1+1 dimensions. We…

Quantum Physics · Physics 2025-02-12 Jack Y. Araz , Siddhanth Bhowmick , Matt Grau , Thomas J. McEntire , Felix Ringer

A comprehensive description of molecular electron transfer reactions is essential for our understanding of fundamental phenomena in bio-energetics and molecular electronics. Experimental studies of molecular systems in condensed-phase…

Quantum Physics · Physics 2021-02-04 Frank Schlawin , Manuel Gessner , Andreas Buchleitner , Tobias Schaetz , Spiros S Skourtis

The stabilizer ground state is defined is the lowest energy stabilizer state with respect to a given Hamiltonian. In many cases it is highly degenerate and does not give a unique stabilizer state. We define the optimal stabilizer ground…

Quantum Physics · Physics 2026-03-09 Yuping Mao , Chang Chen , Jiaxing Feng , Yimeng Mao , Tim Byrnes

Polar molecules, with their rich internal structure, offer immense potential for fundamental physics, quantum technology, and controlled chemistry. However, their utilization is currently limited because of slow and imperfect state…

Quantum Physics · Physics 2026-02-16 Chi Zhang , Sara Murciano , Nathanan Tantivasadakarn , Ran Finkelstein

Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering…

Chemical Physics · Physics 2022-08-12 Tianchen Zhao , James Stokes , Shravan Veerapaneni

We address a wide spectrum of quantum control strategies, including various open-loop protocols and advanced adaptive methods. These methodologies apply to few-qubit scenarios and naturally scale to larger N-qubit systems. We benchmark them…

Quantum Physics · Physics 2025-09-22 Atta ur Rahman , M. Y. Abd-Rabbou , Cong-feng Qiao

The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem…

Adiabatic quantum computation employs a slow change of a time-dependent control function (or functions) to interpolate between an initial and final Hamiltonian, which helps to keep the system in the instantaneous ground state. When the…

Quantum Physics · Physics 2014-06-26 Constantin Brif , Matthew D. Grace , Mohan Sarovar , Kevin C. Young

Preparing desired quantum states and quantum operations (processes) is essential for numerous tasks in quantum computation. Several approaches have been developed for optimal control of quantum states, whereas optimal strategies for…

Quantum Physics · Physics 2025-09-29 M. Farnia , V. Rezvani , A. T. Rezakhani

Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…

Quantum Physics · Physics 2023-01-12 Karen J. Morenz Korol , Kenny Choo , Antonio Mezzacapo

Optimal quantum control of continuous variable systems poses a formidable computational challenge because of the high-dimensional character of the system dynamics. The framework of quantum invariants can significantly reduce the complexity…

One of the main applications of future quantum computers will be the simulation of quantum models. While the evolution of a quantum state under a Hamiltonian is straightforward (if sometimes expensive), using quantum computers to determine…

The rapid progress of noisy intermediate-scale quantum (NISQ) computing underscores the need to test and evaluate new devices and applications. Quantum chemistry is a key application area for these devices, and therefore serves as an…