Optimal control with a strong harmonic trap

Area of Science:

• Physics
• Biophysics
• Computational Chemistry

Background:

• Quadratic trapping potentials are crucial for studying biopolymers and molecular machines.
• They are also used in steered molecular-dynamics simulations to drive transitions.
• Current methods have limitations in terms of speed and applicability.

Purpose of the Study:

• To design multidimensional trapping protocols that minimize energy dissipation.
• To develop protocols applicable to a wide range of systems.
• To enable efficient nonequilibrium free-energy estimation and single-molecule manipulation.

Main Methods:

• Approximating energy landscapes as locally quadratic.
• Designing multidimensional trapping protocols based on this approximation.
• Demonstrating utility with a model of a periodically driven rotary motor.

Main Results:

• Developed easily solvable and widely applicable trapping protocols.
• Protocols minimize dissipation without relying on fast or slow limits.
• Showed effectiveness in a model rotary motor system.

Conclusions:

• The designed protocols offer effective principles for single-molecule manipulation.
• They provide an efficient route for nonequilibrium free-energy estimation.
• The approach is valid for strong trapping potentials of any duration.