Research Projects

The research explores quantum dynamics under controlled perturbations using multi-color pulses optimized through evolutionary search techniques. The primary objective is to investigate photodetachment and photodissociation dynamics of molecular anions, with an initial focus on systems like HF₂⁻ and HFCl⁻. These anionic systems will be studied under the influence of polychromatic electromagnetic radiation fields, with optimization carried out using stochastic algorithms such as Simulated Annealing, Parallel Tempering, and Genetic Algorithms. The first phase will involve one-dimensional modeling, approximating molecular geometry as linear, where the anionic surface exhibits a single minimum, and the composite molecular system presents a double-well potential. Surfaces for these systems will be evaluated using ab initio methods. The study will then extend to more complex two-dimensional systems, where computational challenges increase significantly. To overcome these challenges, Artificial Neural Networks (ANNs) will be employed to construct potential energy surfaces, integrating an in-house ANN-based code with ab initio calculator software. A two-tier optimization strategy will be implemented: first, optimizing the ANN for accurate surface generation, followed by the design of an optimal control pulse using stochastic search algorithms. This research will not only enhance the understanding of photodetachment and photodissociation dynamics but will also pave the way for the broader application of ANN-based stochastic optimization in generating complex ab initio surfaces and studying reaction pathways in quantum molecular systems.