Tests of an adaptive QM/MM calculation on free energy profiles of chemical reactions in solution.

We present reaction free energy calculations using the adaptive buffered force mixing quantum mechanics/molecular mechanics (bf-QM/MM) method. The bf-QM/MM method combines nonadaptive electrostatic embedding QM/MM calculations with extended and reduced QM regions to calculate accurate forces on all atoms, which can be used in free energy calculation methods that require only the forces and not the energy. We calculate the free energy profiles of two reactions in aqueous solution: the nucleophilic substitution reaction of methyl chloride with a chloride anion and the deprotonation reaction of the tyrosine side chain. We validate the bf-QM/MM method against a full QM simulation, and show that it correctly reproduces both geometrical properties and free energy profiles of the QM model, while the electrostatic embedding QM/MM method using a static QM region comprising only the solute is unable to do so. The bf-QM/MM method is not explicitly dependent on the details of the QM and MM methods, so long as it is possible to compute QM forces in a small region and MM forces in the rest of the system, as in a conventional QM/MM calculation. It is simple, with only a few parameters needed to control the QM calculation sizes, and allows (but does not require) a varying and adapting QM region which is necessary for simulating solutions.

A self-adaptive genetic algorithm applied to multi-objective optimization of an airfoil

Genetic algorithms (GAs) have been used to tackle non-linear multi-objective optimization (MOO) problems successfully, but their success is governed by key parameters which have been shown to be sensitive to the nature of the particular problem, incorporating concerns such as the numbers of objectives and variables, and the size and topology of the search space, making it hard to determine the best settings in advance. This work describes a real-encoded multi-objective optimizing GA (MOGA) that uses self-adaptive mutation and crossover, and which is applied to optimization of an airfoil, for minimization of drag and maximization of lift coefficients. The MOGA is integrated with a Free-Form Deformation tool to manage the section geometry, and XFoil which evaluates each airfoil in terms of its aerodynamic efficiency. The performance is compared with those of the heuristic MOO algorithms, the Multi-Objective Tabu Search (MOTS) and NSGA-II, showing that this GA achieves better convergence.

Adaptive holographic pumping of thin-film organic lasers

In this Letter, we use a reconfigurable hologram to dynamically control the position of incidence of the pump beam onto a liquid-crystal dye-based laser. The results show that there is an increase in the stability of the laser output with time and the average power when compared with the output of the same laser when it is optically excited using a static pump beam. This technique also provides additional functionality, such as wavelength tuning and spatial shaping of the pump beam, both of which are demonstrated here. © 2013 Optical Society of America.

Stabilising terminal cost and terminal controller for ℓasso- MPC: Enhanced optimality and region of attraction

In recent literature, ℓ1-regularised MPC, or ℓasso-MPC, has been recommended for control tasks involving complex requirements on the control signals, for instance, the simultaneous solution of regulation and sharp control allocation for redundantly-actuated systems. This is due to the implicit thresholding ability of LASSO regression. In this paper, a stabilising terminal cost featuring a mixed ℓ1/ℓ2 2 penalty is presented. Then, a candidate terminal controller is computed, with the aim of enlarging the region of attraction. © 2013 EUCA.

Adaptive enhancement of multimode fibre bandwidth by twin-spot offset launch

A binary grating on a Spatial Light Modulator generates twin antiphase spots with adjustable positions across the core of a multimode fibre allowing adaptive excitation of antisymmetric mode-groups for improving modal dispersion or modal multiplexing. © 2011 AOS.

Free space adaptive optical interconnect, using a ferroelectric liquid crystal SLM for beam steering

A free-space, board-to-board, adaptive optical interconnect demonstrator has been developed. Binary phase gratings displayed on a Ferroelectric Liquid Crystal Spatial Light Modulator are used to maintain data transfer at 1.25Gbps, given varying optical misalignment.© 2005 Optical Society of America.

Morphological computation for adaptive behavior and cognition

Traditionally, in robotics, artificial intelligence and neuroscience, there has been a focus on the study of the control or the neural system itself. Recently there has been an increasing interest in the notion of embodiment not only in robotics and artificial intelligence, but also in the neurosciences, psychology and philosophy. In this paper, we introduce the notion of morphological computation, and demonstrate how it can be exploited on the one hand for designing intelligent, adaptive robotic systems, and on the other hand for understanding natural systems. While embodiment has often been used in its trivial meaning, i.e. "intelligence requires a body", the concept has deeper and more important implications, concerned with the relation between physical and information (neural, control) processes. Morphological computation is about connecting body, brain and environment. A number of case studies are presented to illustrate the concept. We conclude with some speculations about potential lessons for neuroscience and robotics. © 2006 Elsevier B.V. All rights reserved.

Self-stabilization and behavioral diversity of embodied adaptive locomotion

Locomotion is of fundamental importance in understanding adaptive behavior. In this paper we present two case studies of robot locomotion that demonstrate how higher level of behavioral diversity can be achieved while observing the principle of cheap design. More precisely, it is shown that, by exploiting the dynamics of the system-environment interaction, very simple controllers can be designed which is essential to achieve rapid locomotion. Special consideration must be given to the choice of body materials. We conclude with some speculation about the importance of locomotion for understanding cognition. © Springer-Verlag Berlin Heidelberg 2004.

Coherence loss and recovery of an electron spin coupled inhomogeneously to a one-dimensional interacting spin bath: An adaptive time-dependent density-matrix renormalization group study

Coherence evolution and echo effect of an electron spin, which is coupled inhomogeneously to an interacting one-dimensional finite spin bath via hyperfine-type interaction, are studied using the adaptive time-dependent density-matrix renormalization group method. It is found that the interplay of the coupling inhomogeneity and the transverse intrabath interactions results in two qualitatively different coherence evolutions, namely, a coherence-preserving evolution characterized by periodic oscillation and a complete decoherence evolution. Correspondingly, the echo effects induced by an electron-spin flip at time tau exhibit stable recoherence pulse sequence for the periodic evolution and a single peak at root 2 tau for the decoherence evolution, respectively. With the diagonal intrabath interaction included, the specific feature of the periodic regime is kept, while the root 2 tau-type echo effect in the decoherence regime is significantly affected. To render the experimental verifications possible, the Hahn echo envelope as a function of tau is calculated, which eliminates the inhomogeneous broadening effect and serves for the identification of the different status of the dynamic coherence evolution, periodic versus decoherence.

Quantum well controller

A quantum well controller (QWC) consisting of a direct-gap/indirect-gap quantum well and a doping interface is proposed to control the dynamic operation of the Gunn active layer. Through the Monte Carlo simulation a new relaxation mode for this new device is found. The oscillation and amplification behavior of the Gunn active layer under the control of the QWC is investigated theoretically and experimentally. All work demonstrates the great control capacity of the QWC and provides a new way to improve the performance of semiconductor devices. A new oscillation diode made of the QWC and a Gunn active layer has been designed and fabricated. In the 8 mm band the highest pulse output power of these diodes is 2.55 W and the highest conversion efficiency is 18%.

An adaptive frequency synthesizer architecture reducing reference sidebands

An adaptive phase-locked loop (PLL) frequency synthesizer architecture for reducing reference sidebands at the output of the frequency synthesizer is described. The architecture combines two tuning loops: one is the main loop for locking the PLL frequency synthesizer and operating all the time, the other one is auxiliary loop for reducing reference sidebands and operating only when the main loop is closely locked. A 1.8V 1GHz fully integrated CMOS dual-loop frequency synthesizer is designed in a 0.18um CMOS process. The suppression of the reference sidebands of the proposed frequency synthesizer is 13.8dB more than that of the general frequency synthesizer.