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Welcome to Theoretical/Computational Chemistry Group for ESP @ UNIST! 

We aim to develop a novel method to describe excited state phenomena of molecules and materials, and we will apply it to design of multi-functional futuristic devices. For more details, please see Research Interests on the left.


  • A new surface hopping algorithm for quantum coherence has been published. A decoherence-induced surface hopping algorithm based on the exact factorization (DISH-XF) has been published in The Journal of Physical Chemistry Letters. DISH-XF exploits the decoherence term from ...
    Posted Feb 25, 2018, 9:56 PM by 민승규
  • Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence Realistic applications of coupled-trajectory mixed quantum-classical (CT-MQC) dynamics has been published to J. Phys. Chem. Lett. recently. This paper provides the first implementation of CT-MQC approach ...
    Posted Jun 22, 2017, 5:48 PM by 민승규
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