环境热噪声是量子计算走向规模化的一大阻碍，其存在对量子调控过程的鲁棒性和保真度提出了更高要求。采用随机动力学结构分解方法，并根据Kubo-Einstein涨落耗散定理，研究了热噪声环境下量子调控的量子动力学优化问题，即如何提高热噪声环境下量子调控过程的保真度。基于二维球面上的经典路径可完全描述单个量子比特运动这一特性，提出了基于梯度下降算法的变分优化方案，并通过数值模拟证明了该方案的可用性。结果发现，在经典极限下影响量子调控过程保真度的主要因素是热涨落。该方法有望与实验相互验证，进一步指导和评估实验方案，以期实现量子门的高保真度。

为深入认识微观粒子的波粒二象性, 探索波态和粒子态之间的转变并制备多路径波态和粒子态的共存状态, 提出了通过引入量子控制实现量子行走中波态和粒子态之间的连续调控的理论方案, 并分别计算了量子行走的位置分布及方差随着辅助比特系数的变化情况。计算结果表明量子调控使得行走者不仅可以处于粒子和波的混合态, 还能处于相干叠加态。波态和粒子态之间的连续调控通过相干和混合方式的位置方差展示，, 并且给出了混合态和相干态两种调控方式的差异。量子行走为深入研究微观粒子的波粒二象性提供了一个实用的平台。

This study shows the unexpected and counterintuitive possibility of simultaneously orienting a molecule while delocalizing its molecular axis in a plane in field-free conditions. The corresponding quantum states are characterized, and different control strategies using shaped terahertz (THz) laser pulses are proposed to reach such states at zero and nonzero temperatures. The robustness against temperature effects of a simple control procedure combining a laser and a THz pulse is shown. Such control strategies can be applied not only to linear molecules but also to symmetric top molecules.

Motivated by the major role funneling dynamics plays in light-harvesting processes, we built some laser control strategies inspired from basic mechanisms such as interference and kicks, and applied them to the case of pyrazine. We are studying the internal conversion between the two excited states, the highest and directly reachable from the initial ground state being considered as a donor and the lowest as an acceptor. The ultimate control objective is the maximum population deposit in the otherwise dark acceptor from a two-step process: radiative excitation of the donor, followed by a conical-intersection-mediated funneling towards the acceptor. The overall idea is to first obtain the control field parameters (individual pulses leading frequency and intensity, duration, and inter-pulse time delay) for tractable reduced dimensional models basically describing the conical intersection branching space. Once these parameters are optimized, they are fixed and used in full-dimensional dynamics describing the electronic population transfer. In the case of pyrazine, the reduced model is four-dimensional, whereas the full dynamics involves 24 vibrational modes. Within experimentally achievable electromagnetic field requirements, we obtain a robust control with about 60% of the ground state population deposited in the acceptor state, while about 16% remains in the donor. Moreover, we anticipate a possible transposition to the control of even larger molecular systems, for which only a small number of normal modes are active, among all the others acting as spectators in the dynamics.