Based on a cloud model,which makes good balance between randomness and fuzziness,a quantum adaptive immune clone algorithm is proposed.The quantum rotate gate,a key operator of quantum evolutionary algorithm for optimization and mutation operation,is insteaded by cloud operators.Dynamic adjustment of searching range in evolutionary process is realized by controlling collaboration of cloud operators.It makes the algorithm has strong ability in global search.Programs are modified for targeted optimization.They make algorithm avoid falling into local optimum effectively.Simulation experiments for standard numerical optimization problems show that the proposed algorithm has better search capability,higher search precision,and better stability.Simulation experiment in parameters estimation of nonlinear system shows that the algorithm gets effectively estimation for system parameters with high accuracy and good performance.

We developed a code for ab-initio variational configuration interaction calculation of electronic structure of atoms via generalised Laguerre type orbitals. By computing absolute minimum of energy with orbital effective charges as variational parameters optimal wave functions are obtained. Algorithm and program structure are presented in details. A convergence study of our CI method with NMCSCF is given for He 1s²¹S state. It shows that convergence of our CI method is faster than that of NMCSCF method. As an example, absolute minimum of energy and optimal wave functions of Ti in ⁵G states are calculated.

A modified variable charge method based on iterative fluctuation charge model is proposed which is suitable for molecular dynamics simulation of a canonical ensemble.It compensates kinetic energy loss in simulation with thermal bath in the canonical ensemble.Molecular dynamics simulations show that this method has no energy leaking.Number of iteration in the modified method is reduced and the computational efficiency is increased.

Phases of antiferromagnetic magnetization and exchange bias and coercivity in ferromagnetic/antiferromagnetic/ferromagnetic(FM/AF/FM) trilayers with interface quadratic and biquadratic exchange coupling are studied comprehensively.Three possible cases are found,namely reversible recovering case,irreversible continuously-reversing case and irreversible discontinuously-reversing case. Realization of the cases strongly depends on pinned-M_FM interface quadratic exchange coupling J₁,free-M_FM interface quadratic exchange coupling J₂ and biquadratic coupling J'₂.In the reversible recovering,the exchange coupling results in an exchange bias,and there is no exchange bias in other cases.It provides possible explanation for both hysteresis energy loss and perpendicular coupling at the interface.