About

Hassan Nawaz

PhD Student, Chemical & Biomolecular Engineering, Hong Kong University of Science and Technology (HKUST) — advised by Prof. Hanyu Gao. Formerly M.Sc. Physical Chemistry at Xiamen University, advised by Prof. Pavlo O. Dral.

My work applies machine learning and data science techniques to problems in chemical and materials engineering. I'm a PhD student at HKUST, advised by Prof. Hanyu Gao, building on my Master's research at Xiamen University advised by Prof. Pavlo O. Dral — where I worked on AI-enhanced computational chemistry: autonomous simulation platforms, LLM agents for chemistry, and machine learning interatomic potentials developed and benchmarked within the MLatom and Aitomia ecosystems.

I'm originally from Pakistan, completed my B.Sc. in Analytical Chemistry at the University of Agriculture, Faisalabad, and I'm now based in Hong Kong.

Contact: hnawaz@connect.ust.hk

Portrait of Hassan Nawaz
Education

Vita

Sep 2026 – Jul 2030

PhD in Chemical and Biomolecular Engineering In Progress

Hong Kong University of Science and Technology, Hong Kong

Advisor: Prof. Hanyu Gao

Research focus: machine learning and AI for chemical and materials engineering.

Sep 2024 – Jul 2026

M.Sc. in Physical Chemistry GPA 3.9/4

Xiamen University, China

Advisor: Prof. Pavlo O. Dral

Thesis: "Exploring Automation and Acceleration in Computational Chemistry with Artificial Intelligence and Machine Learning Potentials"

Sep 2020 – Jun 2024

B.Sc. in Analytical Chemistry GPA 3.71/4

University of Agriculture, Faisalabad, Pakistan

Advisor: Raja Adil Sarfraz

Final-year report: "Revolutionizing quantum and computational chemistry using machine learning"

Experience

Work Experience

Research Intern, Central Hi-Tech Lab

Feb 2023 – Jul 2023

University of Agriculture, Faisalabad · Advisors: Raja Adil Sarfraz, Raziya Nadeem, Fazil Shah

  • Development of novel methodologies for the identification of adulterants in milk.
  • Hands-on training on Scanning Electron Microscope (SEM), High-Performance Liquid Chromatography (HPLC), Gas Chromatography (GC), Light Microscopy (LM), Atomic Absorption Spectroscopy (AAS), UV-visible spectroscopy, and Flame Photometry (FP).
Recognition

Awards & Scholarships

  • Apr 2026

    HKUST RedBird PhD Recruitment Award 2026-27

    Awarded during the PhD recruitment process at the Hong Kong University of Science and Technology.

  • Feb 2026

    Postgraduate Scholarship at HKUST

    In support of doctoral studies in Chemical and Biomolecular Engineering.

  • Sep 2024

    Chinese Government Scholarship

    In support of Master's studies at Xiamen University, China.

  • Sep 2021

    Ehsas Undergraduate Merit Base Scholarship

    In support of undergraduate studies at the University of Agriculture, Faisalabad, Pakistan.

  • Apr 2018

    Higher Secondary Education Bright Student Scholarship

    Awarded for academic performance in higher secondary education.

Memberships

Professional Memberships

  • Dec 2025

    American Chemical Society (ACS)

    Member since December 2025.

  • Mar 2026

    Chinese Chemical Society (CCS)

    Member since March 2026.

Skills

Languages & Tools

Languages

  • English (fluent)
  • Urdu (native)
  • Punjabi
  • Arabic

Computer

  • Python
  • Linux
  • LaTeX
Collaborations

Working together

I'm always glad to connect with researchers and groups working on machine learning for chemistry and materials, molecular simulation, or AI agents for science.

Prof. Ireneusz Grabowski & Dr. Szymon Śmiga

Nicolaus Copernicus University, Toruń, Poland

Development of machine learning interatomic potentials aimed at surpassing standard DFT accuracy.

Contact

Get in touch

Open to research collaborations, questions about the work on this site, or conversations about AI for chemistry and materials. The fastest way to reach me is email.

Email (Personal)hassanchemist@yahoo.com
LocationHong Kong SAR