1. Quantum and Classical Dynamics Study of Atoms, Molecules and Crystals in Ultrafast Strong Laser Fields: High-Order Harmonic Spectrum, Isolated Attosecond Pulse Generation, Photoelectron Spectrum, Nuclear Kinetic-Energy Release Spectrum, Laser-Induced Electron Diffraction, Strong-Field-Induced Air Lasing, Laser-Induced Ultrafast Current in Solid, etc. In such a fundamental physics field, we have been devoting to developing theoretical and numerical methodologies to investigate the involved interesting dynamics and phenomena. Available large-scale parallel computer codes include LZH-DICP, Macro-HHG-NJUST, SBE-NJUST, Solid-PP-TDSE. If any third-party researcher or institute is interested in our package, welcome to contact Prof. Lu for academic purpose.

2. Theoretical Study of Molecular Reaction Dynamics: Nonadiabatic (including State-to-State) Quantum Wave Packet Study of Triatomic and Tetraatomic Collisons/Reactions, Ab Initio Calculations, Analytic Potential Energy Surfaces, Coriolis Coupling, Quasiclassical Trajectory Study of Stereodynamics, etc.  

3. Multiscale Simulation Study of Material Physics: First-Principles Calculations, Molecular Dynamics Simulations, grand canonical Monte Carlo Simulations, and so on. The research topics cover hydrogen energy (photocatalytic hydrogen generation, hydrogen purification, and hydrogen storage), gas adsorption and separation, water desalination, membrane materials, solid oxide fuel cell, Li ion battery and other metal ion batteries, Li-S battery, and also other new energy as well as environmental materials.  

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