Research Fellow (Computational Chemistry)

Roles & Responsibilities

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Job Description

A postdoc position is available in the Department of Materials Science and Engineering at the National University of Singapore under the direction of Dr. Peichen Zhong. This role involves using computational chemistry and machine learning to model electrochemical systems while collaborating with experimentalists.

Qualifications

• Ph.D. in Computational Chemistry / Physics / Materials Science, or related field (completed by start date).
• Strong oral and written communication skills in English.
• Strong background in statistical mechanics and thermodynamics
• Proficiency in density functional theory calculations (e.g., VASP, Quantum Espresso, Q-Chem, PySCF)
• Proficiency in at least one mainstream deep learning framework (PyTorch or JAX)
• Expertise in atomistic thermodynamic & kinetic simulations in electrochemistry
• Expertise in rare-event sampling, free energy calculation, and reaction network modeling
• Ability to independently design and execute research projects, with a track record of high-quality publications.

Tell employers what skills you have

Machine Learning

Materials Science

Physics

PyTorch

Research Skills

Writing

Publications

Electrochemistry

Laboratory

Research