Achieving dynamic manipulation and control of single molecules at high spatio-temporal resolution is pivotal for advancing atomic-scale computing and nanorobotics. However, this endeavour is critically challenged by complex nature of atomic and molecular interactions, high-dimensional characteristics of nanoscale systems, and scarcity of experimental data. Here, we present a toy model for controlling single-molecule diffusion by harnessing electrostatic forces arising from elementary surface charges within a lattice structure, mimicking embedded charges on a surface. We investigate the interplay between quantum mechanics and electrostatic interactions in single molecule diffusion processes using a combination of state-dependent diffusion equations and Green's functions. We find that surface charge density critically influences diffusion coefficients, exhibiting linear scaling akin to Coulombic forces. We achieve accurate predictions of experimental diffusion constants and extending the observed range to values reaching up to 6000 $μ\text{m}^2\text{ms}^{-1}$ and 80000 $μ\text{m}^2\text{ms}^{-1}$ . The molecular trajectories predicted by our model bear resemblance to planetary motion, particularly in their gravity-assisted acceleration-like behaviour. It holds transformative implications for nanorobotics, motion control at the nanoscale, and computing applications, particularly in the areas of molecular and quantum computing where the trapping of atoms and molecules is essential. Beyond the state-of-the-art optical lattice and scanning tunnelling microscopy for atomic/molecular manipulation, our findings give unambiguous advantage of precise control over single-molecule dynamics through quantum manipulation at the angstrom scale.Achieving dynamic manipulation and control of single molecules at high spatio-temporal resolution is pivotal for advancing atomic-scale computing and nanorobotics. However, this endeavour is critically challenged by complex nature of atomic and molecular interactions, high-dimensional characteristics of nanoscale systems, and scarcity of experimental data. Here, we present a toy model for controlling single-molecule diffusion by harnessing electrostatic forces arising from elementary surface charges within a lattice structure, mimicking embedded charges on a surface. We investigate the interplay between quantum mechanics and electrostatic interactions in single molecule diffusion processes using a combination of state-dependent diffusion equations and Green's functions. We find that surface charge density critically influences diffusion coefficients, exhibiting linear scaling akin to Coulombic forces. We achieve accurate predictions of experimental diffusion constants and extending the observed range to values reaching up to 6000 $μ\text{m}^2\text{ms}^{-1}$ and 80000 $μ\text{m}^2\text{ms}^{-1}$. The molecular trajectories predicted by our model bear resemblance to planetary motion, particularly in their gravity-assisted acceleration-like behaviour. It holds transformative implications for nanorobotics, motion control at the nanoscale, and computing applications, particularly in the areas of molecular and quantum computing where the trapping of atoms and molecules is essential. Beyond the state-of-the-art optical lattice and scanning tunnelling microscopy for atomic/molecular manipulation, our findings give unambiguous advantage of precise control over single-molecule dynamics through quantum manipulation at the angstrom scale.

arXiv:2310.09296Sep 26, 20230 citations

Control of Molecular and Quantum Systems

Springer eBooksJun 29, 20076 citations

Quantum control of atoms and molecules

de Araújo, E Luis Eduardo

Jun 1, 20011 citation

Controlling chemical reactions in the quantum regime

Paul W. Brumer, Moshe Shapiro

Debbie Jin and Jun Ye, in “Polar molecules in the quantum regime” (PHYSICS TODAY, May 2011, page 27), provide an enlightening overview of their recent work on cold molecular gases; they note a significant opportunity to study and manipulate chemical reactions in a regime in which quantum effects are important. In the case of their potassium–rubidium system, they regard the observed reaction KRb + KRb → K2 + Rb2 as being of great interest but also as being a significant impediment to the goal of preparing a quantum gas of oriented KRb molecules.The cold gas that Jin and Ye have created does indeed offer a unique environment to study chemical reactions that are strongly affected by quantum mechanics. One such opportunity, not noted in their article, is the ability to manipulate reaction cross sections by “coherent control.”11. M. Shapiro, P. Brumer, Principles of the Quantum Control of Molecular Processes, Wiley, New York (2003); Quantum Control of Molecular Processes, Wiley-VCH, Weinheim, Germany, in press. In that approach one creates an initial superposition of scattering states that allows control over reaction cross sections through quantum interference.Two coherent control scenarios are worth examining toward the goal of controlling or reducing the KRb + KRb reactive cross section. The first was designed to control cross sections in the scattering of identical diatomic molecules, and the second is a method capable of suppressing reactive scattering by suitable preparation of the initial scattering state. Both are discussed in reference 11. M. Shapiro, P. Brumer, Principles of the Quantum Control of Molecular Processes, Wiley, New York (2003); Quantum Control of Molecular Processes, Wiley-VCH, Weinheim, Germany, in press. .Demonstrating coherent control of collisional processes in the cold KRb gas would contribute greatly to understanding and manipulating chemical reactions on a fundamental quantum level. The use of such control to suppress the KRb + KRb reaction, if successful, would be an added technological benefit on the way to producing the desired quantum gas of oriented molecules.REFERENCESSection:ChooseTop of pageREFERENCES <<CITING ARTICLES1. M. Shapiro, P. Brumer, Principles of the Quantum Control of Molecular Processes, Wiley, New York (2003); Google ScholarQuantum Control of Molecular Processes, Wiley-VCH, Weinheim, Germany, in press. Google Scholar© 2011 American Institute of Physics.Debbie Jin and Jun Ye, in “Polar molecules in the quantum regime” (PHYSICS TODAY, May 2011, page 27), provide an enlightening overview of their recent work on cold molecular gases; they note a significant opportunity to study and manipulate chemical reactions in a regime in which quantum effects are important. In the case of their potassium–rubidium system, they regard the observed reaction KRb + KRb → K2 + Rb2 as being of great interest but also as being a significant impediment to the goal of preparing a quantum gas of oriented KRb molecules.The cold gas that Jin and Ye have created does indeed offer a unique environment to study chemical reactions that are strongly affected by quantum mechanics. One such opportunity, not noted in their article, is the ability to manipulate reaction cross sections by “coherent control.”11. M. Shapiro, P. Brumer, Principles of the Quantum Control of Molecular Processes, Wiley, New York (2003); Quantum Control of Molecular Processes, Wiley-VCH, Weinheim, Germany, in press. In that approach one creates an initial superposition of scattering states that allows control over reaction cross sections through quantum interference.Two coherent control scenarios are worth examining toward the goal of controlling or reducing the KRb + KRb reactive cross section. The first was designed to control cross sections in the scattering of identical diatomic molecules, and the second is a method capable of suppressing reactive scattering by suitable preparation of the initial scattering state. Both are discussed in reference 11. M. Shapiro, P. Brumer, Principles of the Quantum Control of Molecular Processes, Wiley, New York (2003); Quantum Control of Molecular Processes, Wiley-VCH, Weinheim, Germany, in press. .Demonstrating coherent control of collisional processes in the cold KRb gas would contribute greatly to understanding and manipulating chemical reactions on a fundamental quantum level. The use of such control to suppress the KRb + KRb reaction, if successful, would be an added technological benefit on the way to producing the desired quantum gas of oriented molecules.REFERENCESSection:ChooseTop of pageREFERENCES <<CITING ARTICLES1. M. Shapiro, P. Brumer, Principles of the Quantum Control of Molecular Processes, Wiley, New York (2003); Google ScholarQuantum Control of Molecular Processes, Wiley-VCH, Weinheim, Germany, in press. Google Scholar© 2011 American Institute of Physics.

Physics TodayDec 1, 20113 citations

Manipulation technology and system control theory in quantum molecular dynamics

Shuang Cong

We give a review on the development of quantum manipulation techniques in molecular dynamics and their technological classification and effectiveness.The analysis and comparison are based on the principles of technologies and the characteristics of implementation.The topics include the π pulse dynamics and interference path control schemes in frequency domain,and the laser pulse shaping technology.The macroscopic control theories of molecular dynamic control are also discussed and evaluated,which includes system modeling,analysis and synthesis,geometric control,control of unitary evolution matrix,quantum optimal control theory,quantum control methods based on Lyapunov method.The paper provides a panorama of the quantum manipulation techniques and the applications of control theory in molecular dynamics.We give a review on the development of quantum manipulation techniques in molecular dynamics and their technological classification and effectiveness.The analysis and comparison are based on the principles of technologies and the characteristics of implementation.The topics include the π pulse dynamics and interference path control schemes in frequency domain,and the laser pulse shaping technology.The macroscopic control theories of molecular dynamic control are also discussed and evaluated,which includes system modeling,analysis and synthesis,geometric control,control of unitary evolution matrix,quantum optimal control theory,quantum control methods based on Lyapunov method.The paper provides a panorama of the quantum manipulation techniques and the applications of control theory in molecular dynamics.

Control theory & applicationsJan 1, 20100 citations

Control of Quantum-Mechanical Processes and Systems

Anatoliy G. Butkovskiy, Yu. I. Samoilenko

Mathematics and its applications. Soviet seriesJan 1, 1990170 citations

μ\text{m}^2\text{ms}^{-1}

and 80000

μ\text{m}^2\text{ms}^{-1}

. The molecular trajectories predicted by our model bear resemblance to planetary motion, particularly in their gravity-assisted acceleration-like behaviour. It holds transformative implications for nanorobotics, motion control at the nanoscale, and computing applications, particularly in the areas of molecular and quantum computing where the trapping of atoms and molecules is essential. Beyond the state-of-the-art optical lattice and scanning tunnelling microscopy for atomic/molecular manipulation, our findings give unambiguous advantage of precise control over single-molecule dynamics through quantum manipulation at the angstrom scale.