Classical emulation of quantum-coherent thermal machines

The performance enhancements observed in various models of continuous quantum thermal machines have been linked to the buildup of coherences in a preferred basis. But, is this connection always an evidence of `quantum-thermodynamic supremacy'? By force of example, we show that this is not the case. In particular, we compare a power-driven three-level continuous quantum refrigerator with a four-level combined cycle, partly driven by power and partly by heat. We focus on the weak driving regime and find the four-level model to be superior since it can operate in parameter regimes in which the three-level model cannot, it may exhibit a larger cooling rate, and, simultaneously, a better coefficient of performance. Furthermore, we find that the improvement in the cooling rate matches the increase in the stationary quantum coherences exactly. Crucially, though, we also show that the thermodynamic variables for both models follow from a classical representation based on graph theory. This implies that we can build incoherent stochastic-thermodynamic models with the same steady-state operation or, equivalently, that both coherent refrigerators can be emulated classically. More generally, we prove this for any N-level weakly driven device with a `cyclic' pattern of transitions. Therefore, even if coherence is present in a specific quantum thermal machine, it is often not essential to replicate the underlying energy conversion process.Comment: 13 pages, 4 figures; references updated; appendix adde

Molecular Quantum Computing by an Optimal Control Algorithm for Unitary Transformations

Quantum computation is based on implementing selected unitary transformations which represent algorithms. A generalized optimal control theory is used to find the driving field that generates a prespecified unitary transformation. The approach is illustrated in the implementation of one and two qubits gates in model molecular systems.Comment: 10 pages, 2 figure

Protecting coherence in Optimal Control Theory: State dependent constraint approach

Optimal control theory is developed for the task of obtaining a primary objective in a subspace of the Hilbert space while avoiding other subspaces of the Hilbert space. The primary objective can be a state-to-state transition or a unitary transformation. A new optimization functional is introduced which leads to monotonic convergence of the algorithm. This approach becomes necessary for molecular systems subject to processes implying loss of coherence such as predissociation or ionization. In these subspaces controllability is hampered or even completely lost. Avoiding the lossy channels is achieved via a functional constraint which depends on the state of the system at each instant in time. We outline the resulting new algorithm, discuss its convergence properties and demonstrate its functionality for the example of a state-to-state transition and of a unitary transformation for a model of cold Rb2.Comment: 12 pages, 7 figure

Stabilization of Ultracold Molecules Using Optimal Control Theory

In recent experiments on ultracold matter, molecules have been produced from ultracold atoms by photoassociation, Feshbach resonances, and three-body recombination. The created molecules are translationally cold, but vibrationally highly excited. This will eventually lead them to be lost from the trap due to collisions. We propose shaped laser pulses to transfer these highly excited molecules to their ground vibrational level. Optimal control theory is employed to find the light field that will carry out this task with minimum intensity. We present results for the sodium dimer. The final target can be reached to within 99% if the initial guess field is physically motivated. We find that the optimal fields contain the transition frequencies required by a good Franck-Condon pumping scheme. The analysis is able to identify the ranges of intensity and pulse duration which are able to achieve this task before other competing process take place. Such a scheme could produce stable ultracold molecular samples or even stable molecular Bose-Einstein condensates

Optimal control theory for unitary transformations

The dynamics of a quantum system driven by an external field is well described by a unitary transformation generated by a time dependent Hamiltonian. The inverse problem of finding the field that generates a specific unitary transformation is the subject of study. The unitary transformation which can represent an algorithm in a quantum computation is imposed on a subset of quantum states embedded in a larger Hilbert space. Optimal control theory (OCT) is used to solve the inversion problem irrespective of the initial input state. A unified formalism, based on the Krotov method is developed leading to a new scheme. The schemes are compared for the inversion of a two-qubit Fourier transform using as registers the vibrational levels of the $X^1\Sigma^+_g$ electronic state of Na$_2$. Raman-like transitions through the $A^1\Sigma^+_u$ electronic state induce the transitions. Light fields are found that are able to implement the Fourier transform within a picosecond time scale. Such fields can be obtained by pulse-shaping techniques of a femtosecond pulse. Out of the schemes studied the square modulus scheme converges fastest. A study of the implementation of the $Q$ qubit Fourier transform in the Na$_2$ molecule was carried out for up to 5 qubits. The classical computation effort required to obtain the algorithm with a given fidelity is estimated to scale exponentially with the number of levels. The observed moderate scaling of the pulse intensity with the number of qubits in the transformation is rationalized.Comment: 32 pages, 6 figure

Optimal performance of endoreversible quantum refrigerators

The derivation of general performance benchmarks is important in the design of highly optimized heat engines and refrigerators. To obtain them, one may model phenomenologically the leading sources of irreversibility ending up with results that are model independent, but limited in scope. Alternatively, one can take a simple physical system realizing a thermodynamic cycle and assess its optimal operation from a complete microscopic description. We follow this approach in order to derive the coefficient of performance at maximum cooling rate for any endoreversible quantum refrigerator. At striking variance with the universality of the optimal efficiency of heat engines, we find that the cooling performance at maximum power is crucially determined by the details of the specific system-bath interaction mechanism. A closed analytical benchmark is found for endoreversible refrigerators weakly coupled to unstructured bosonic heat baths: an ubiquitous case study in quantum thermodynamics

Testing the validity of the ‘local’ and ‘global’ GKLS master equations on an exactly solvable model

When deriving a master equation for a multipartite weakly-interacting open quantum systems, dissipation is often addressed locally on each component, i.e. ignoring the coherent couplings, which are later added ‘by hand’. Although simple, the resulting local master equation (LME) is known to be thermodynamically inconsistent. Otherwise, one may always obtain a consistent global master equation (GME) by working on the energy basis of the full interacting Hamiltonian. Here, we consider a two-node ‘quantum wire’connected to two heat baths. The stationary solution of the LME and GME are obtained and benchmarked against the exact result. Importantly, in our model, the validity of the GME is constrained by the underlying secular approximation. Whenever this breaks down (for resonant weakly-coupled nodes), we observe that the LME, in spite of being thermodynamically flawed: (a) predicts the correct steady state, (b) yields with the exact asymptotic heat currents, and (c) reliably reflects the correlations between the nodes. In contrast, the GME fails at all three tasks. Nonetheless, as the inter-node coupling grows, the LME breaks down whilst the GME becomes correct. Hence, the global and local approach may be viewed as complementary tools, best suited to different parameter regimes