Chief Scientist, AI-Driven Chemistry & Materials Discovery

Deep Principle Limited; Hong Kong; On-site; HKD 1,200,000 - 2,000,000; Full time

Job summary

Deep Principle Limited in Hong Kong seeks a Chief Scientist to lead its scientific programme across AI, chemistry and materials research. The role defines priorities, develops methods, and guides translation of research into platform capabilities for Mira Global.

You will shape the scientific agenda, steer risk-based validation, and build collaborations with universities, institutes, and industry partners while mentoring a growing Hong Kong team. English and Chinese communication are essential.

Qualifications

• Master's degree in computational chemistry, chemistry, materials science, physics, AI, chemical engineering with five years of relevant work experience.
• Strong record of original research in AI for science, computational chemistry or materials discovery.
• Deep expertise in at least one scientific field and ability to evaluate AI and computational methods.
• Ability to formulate hypotheses, design investigations, and interpret evidence under uncertainty.
• Familiarity with Python and scientific computing or ML tools.
• Experience leading multidisciplinary research programmes and mentoring researchers.
• Ability to connect scientific opportunities with industrial research needs and IP development.
• Strong written and verbal communication in English and Chinese.

Responsibilities

• Define the scientific agenda and research priorities for HK R&D programme.
• Lead methodology development combining AI, first-principles calculations, and modelling.
• Advance research planning with hypothesis generation and evidence assessment.
• Establish validation plans to assess predictive validity and reproducibility.
• Guide discovery programmes and translate requirements into capabilities for Mira Global.
• Develop collaborations with universities, research institutes and industry partners.
• Allocate resources and budget to align with scientific objectives.
• Recruit and mentor researchers and lead scientific reviews and reports.
• Report progress and risks to the Board and protect IP outputs.

Skills

AI for science

Computational chemistry

Materials discovery

Python

Research leadership

Multidisciplinary teams

Education

Master's degree in computational chemistry / chemistry / materials science / physics / AI / chemical engineering

Job description

Deep Principle Limited in Hong Kong seeks a Chief Scientist to lead its scientific programme across AI, chemistry and materials research. The role defines priorities, develops methods, and guides translation of research into platform capabilities for Mira Global.

You will shape the scientific agenda, steer risk-based validation, and build collaborations with universities, institutes, and industry partners while mentoring a growing Hong Kong team. English and Chinese communication are essential.