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Institute for Advanced Simulation (IAS)

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HOANG Gia Linh

Faculty of Physics, VNU University of Science


Name: HOANG Gia Linh

Status: 4th year undergraduate, Talented Physics Program




  • 09/2015 - present: Bachelor of Physics in Faculty of Physics, VNU University of Science, Vietnam National University – Hanoi, GPA: 3.61/4 



  • Molecular dynamics simulation package GROMACS 
  • Electronic structure calculation package Gaussian 
  • Ab initio electronic structure and molecular dynamics (MD) program CPMD


Research experiences:

  • 12/2018 – now: Study QM/MM simulation using CPMD package. Doing simulation of acetone in water.
  • 07/2018 – 08/2018: Intern at Institute of Atomic and Molecular Science (IAMS), Academia Sinica, Taiwan. Have poster representation about "DFT-study on hydrogen adsorption on Nickel-Benzene"
  • 09/2017 – 04/2018: Study electronic structures of some anti-cancer drug molecules (5-Fluorouracil, Doxorubicin ...) using first principles methods implemented by Gaussian package.
  • 01/2017 – 08/2017: Study proteins using simulation methods implemented by GROMACS package.
  • 01/2017 – now: Research assistant at Key Laboratory “Multiscale Simulations of Complex Systems”, VNU University of Science, Hanoi, Vietnam.


Research interests:  

  • QM/MM simulation using CPMD



  • 7th International Conference on the Development of Biomedical Engineering in Vietnam (BME7)



  • A book chapter in Proceeding of BME7 with title: "A Systematic Study of Electronic Structure for Anti-cancer Drug Molecule 5-Fluorouracil Within Various Solvents from First-Principles Calculations"


Scholarships and Awards:  

  • Scholarship for student with great academic achievement (on the basis of GPA) in 2016-2017, 2017-2018
  • Award for student with great achievement in 2016-2017, 2017-2018