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.


  • 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
  • Quantum-Classical Nonadiabatic Dynamics is published to Journal of Chemical Theory and Computation We recently published a paper about Quantum-Classical Nonadiabatic Dynamics to Journal of Chemical Theory and Compuation. In this paper, we propose a solution to these issues by approximating the ...
    Posted Dec 8, 2016, 4:14 AM by 민승규
  • A novel algorithm toward excited state dynamics is published to Physical Review Letters We recently published a paper about a novel algorithm for non-adiabatic dynamics to Physical Review Letters. In this paper, we have developed an algorithm based on multiple nuclear trajectories ...
    Posted Dec 23, 2015, 5:34 AM by 민승규
  • Our new webpage is now open!
    Posted May 27, 2015, 11:35 PM by 민승규
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