CV#

Current position#

MSCA Doctoral Researcher / PhD Candidate in Computer Science

TACsy MSCA Doctoral Network, Leipzig University / University of Southern Denmark, 2023–2026

Education#

PhD in Computer Science

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

Research experience and merits#

Doctoral researcher, Bioinformatics Group, Leipzig University / University of Southern Denmark, 2023–present

Developed graph-theoretical methods for chemistry, biology, and chemical reaction networks, including canonicalization, rule extraction, and benchmark construction.

Built graph-based approaches for reaction-data curation and imaginary transition state representations, supporting mechanistic and data-driven reaction modeling.

Developed and applied graph neural network methods for reaction modeling and reaction classification, including SynCat.

Expanded research toward computational biology applications, including peptide–protein modeling, structure-aware scoring, and biomolecular interaction analysis.

Research scientist, MedAI, Department of Organic Chemistry, University of Medicine and Pharmacy at Ho Chi Minh City, 2021–ongoing

Developed reusable cheminformatics tools including ProQSAR and ProDock.

Developed KGG, a knowledge-guided graph framework that incorporates chemical domain knowledge to improve molecular property prediction.

Contributed to collaborative computational drug-discovery projects integrating cheminformatics, machine learning, and structure-based modeling.

Selected references#