Computational Materials Scientist — ML‑Driven Discovery

Xora Innovation; Singapore; On-site; SGD 70,000 - 90,000; Full time

Job summary

A materials science research firm in Singapore is seeking a Computational Materials Scientist to advance research in battery materials and semi-conductors. The ideal candidate will apply machine learning techniques to atomistic simulations, have a PhD in a relevant field, and demonstrate proficiency in DFT codes. Experience with Python and scientific workflows is essential. This position offers an innovative environment focused on accelerating materials discovery.

Qualifications

• PhD in a relevant field, preferably with experience in Computational Materials Science.
• Proven experience with machine learning interatomic potentials and atomistic simulations.
• Strong programming skills in Python and experience with automation toolkits.

Responsibilities

• Apply MLIPs for predicting materials properties.
• Run atomistic simulations using specified DFT and MD codes.
• Implement models to optimize electrolyte candidates.

Skills

Machine Learning Interatomic Potentials (MLIPs)

Python

Database management

Education

PhD in Materials Science, Chemistry, Physics, or related field

Tools

VASP

Quantum ESPRESSO

LAMMPS

Job description

A materials science research firm in Singapore is seeking a Computational Materials Scientist to advance research in battery materials and semi-conductors. The ideal candidate will apply machine learning techniques to atomistic simulations, have a PhD in a relevant field, and demonstrate proficiency in DFT codes. Experience with Python and scientific workflows is essential. This position offers an innovative environment focused on accelerating materials discovery.