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Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms. Large, autoregressive models trained on databases of chemical compounds have…

Machine Learning · Computer Science 2025-10-24 Shriram Chennakesavalu , Frank Hu , Sebastian Ibarraran , Grant M. Rotskoff

Work within this thesis advances optimal control algorithms for application to magnetic resonance systems. Specifically, presenting a quadratically convergent version of the gradient ascent pulse engineering method. The work is formulated…

Quantum Physics · Physics 2018-08-30 David L. Goodwin

Quantum coherent control of ultrafast bond making and the subsequent molecular dynamics is crucial for the realization of a new photochemistry, where a shaped laser field is actively driving the chemical system in a coherent way from the…

Atomic Physics · Physics 2021-09-03 Liat Levin , Daniel M. Reich , Moran Geva , Ronnie Kosloff , Christiane P. Koch , Zohar Amitay

Several types of numerical and combinatorial optimization algorithms have been used as useful tools to minimize functional forms. Generally, when those forms are non-linear or occur in problems without a specific optimization method,…

Chemical Physics · Physics 2007-05-23 Luiz Fernando Roncaratti , Ricardo Gargano , Geraldo Magela e Silva

The goal of the present article is to review the major developments that have led to the current understanding of molecule-field interactions and experimental methods for manipulating molecules with electromagnetic fields. Molecule-field…

Atomic Physics · Physics 2013-09-18 Mikhail Lemeshko , Roman V. Krems , John M. Doyle , Sabre Kais

This paper presents a machine learning approach for tuning the parameters of a family of stabilizing controllers for orbital tracking. An augmented random search algorithm is deployed, which aims at minimizing a cost function combining…

Systems and Control · Electrical Eng. & Systems 2023-08-08 Gianni Bianchini , Andrea Garulli , Antonio Giannitrapani , Mirko Leomanni , Renato Quartullo

State of the art quantum sensing experiments targeting frequency measurements or frequency addressing of nuclear spins require to drive the probe system at the targeted frequency. In addition, there is a substantial advantage to perform…

Quantum Physics · Physics 2019-04-02 Nati Aharon , Ilai Schwartz , Alex Retzker

The study of optimal control of quantum annealing by modulating the pace of evolution and by introducing a counterdiabatic potential has gained significant attention in recent times. In this work, we present a numerical approach based on…

Functions of chemical composition are complex and discrete in nature making it impossible to optimize them with gradient methods. Genetic algorithms, which do not use derivative information, are used to maximize the thermal conductivity of…

Materials Science · Physics 2018-01-30 Alexander Kerr , Kieran Mullen

Quantum technologies will ultimately require manipulating many-body quantum systems with high precision. Cold atom experiments represent a stepping stone in that direction: a high degree of control has been achieved on systems of increasing…

For paving the way to novel applications in quantum simulation, computation, and technology, increasingly large quantum systems have to be steered with high precision. It is a typical task amenable to numerical optimal control to turn the…

Sequence Alignment is the process of aligning biological sequences in order to identify similarities between multiple sequences. In this paper, a Quantum Algorithm for finding the optimal alignment between DNA sequences has been…

Data Structures and Algorithms · Computer Science 2025-09-05 Md. Rabiul Islam Khan , Shadman Shahriar , Shaikh Farhan Rafid

One of the demanding frontiers in ultracold quantum science is identifying laser cooling schemes for complex atoms and molecules out of their vast spectra of internal states. Motivated by the prospect of expanding the set of available…

Quantum Physics · Physics 2025-02-11 Anna Dawid , Niccolò Bigagli , Daniel W. Savin , Sebastian Will

This paper presents new and effective algorithms for learning kernels. In particular, as shown by our empirical results, these algorithms consistently outperform the so-called uniform combination solution that has proven to be difficult to…

Machine Learning · Computer Science 2024-05-01 Corinna Cortes , Mehryar Mohri , Afshin Rostamizadeh

We report on coherent control of excitation processes of translationally ultracold rubidium dimers in a magneto-optical trap by using shaped femtosecond laser pulses. Evolution strategies are applied in a feedback loop in order to optimize…

We utilize genetic algorithms to find optimal dynamical decoupling (DD) sequences for a single-qubit system subjected to a general decoherence model under a variety of control pulse conditions. We focus on the case of sequences with equal…

Quantum Physics · Physics 2013-11-13 Gregory Quiroz , Daniel A. Lidar

Coherent control, a central concept in physics and chemistry, has sparked significant interest due to its ability to fine-tune interference effects in atoms and individual molecules for applications ranging from light-harvesting complexes…

Quantum Physics · Physics 2026-01-07 Juan M. Scarpetta , Omar Calderón-Losada , Morten Hjorth-Jensen , John H. Reina

Among the genetic algorithms generally used for optimization problems in the recent decades, quantum-inspired variants are known for fast and high-fitness convergence and small resource requirement. Here the application to the patient…

Neural and Evolutionary Computing · Computer Science 2025-06-06 Akira SaiToh , Arezoo Modiri , Amit Sawant , Robabeh Rahimi

We introduce a novel algorithm for the task of coherently controlling a quantum mechanical system to implement any chosen unitary dynamics. It performs faster than existing state of the art methods by one to three orders of magnitude…

Quantum Physics · Physics 2015-06-04 Pierre de Fouquieres

Robotic manipulation demands precise control over both contact forces and motion trajectories. While force control is essential for achieving compliant interaction and high-frequency adaptation, it is limited to operations in close…

Robotics · Computer Science 2025-06-23 Melih Özcan , Ozgur S. Oguz
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