Profile#

Overview#

Computational scientist with interdisciplinary training in pharmacy, cheminformatics, and computer science, with strong interests in computational biology, graph-based molecular modeling, biomolecular interaction analysis, and data-driven molecular discovery. My research combines graph theory, machine learning, structural modeling, and open scientific software to study chemistry, biology, and chemical reaction networks.

I am particularly interested in computational frameworks that connect molecular structure, biomolecular recognition, reaction mechanisms, and predictive modeling for therapeutic discovery and chemical biology. This trajectory has gradually expanded from small-molecule drug discovery and reaction informatics toward broader questions in molecular and computational biology, especially where structure, interaction, and biological function can be studied with data-driven methods.

Current position#

MSCA Doctoral Researcher / PhD Candidate in Computer Science

TACsy MSCA Doctoral Network, a joint doctoral program between Leipzig University and the University of Southern Denmark. Research focus: graph-theoretical and machine-learning methods for chemistry and biology, including reaction informatics, molecular representation learning, chemical reaction networks, peptide–protein modeling, and biomolecular interaction analysis.

Core strengths#

  • Structured molecular representations for molecules, reactions, and interacting biomolecular systems

  • Chemistry-aware machine learning for reaction classification and molecular property prediction

  • Biomolecular modeling for peptide–protein complexes, confidence-aware scoring, and computational design

  • Research software and benchmarks for reusable, documented, and reproducible molecular science

Education#

  • PhD in Computer Science (ongoing), Leipzig University / University of Southern Denmark, 2023–2026

  • MSc in Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, 2020–2022

  • BSc in Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, 2013–2018

Academic activities#

My broader academic activity combines research, open software, project development, and mentorship. In addition to publications and method development, I place strong value on maintainable scientific software, curated datasets, benchmark design, executable educational resources, and collaborative research training.