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Computational Materials Scientist

ELEMYNT PTE. LTD.

Singapore
On-site
SGD 80,000 - 120,000
Today
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[GRIT Trainee] Products & Sales Support Trainee, Consumer Banking Group

DBS BANK LTD.

Singapore
On-site
SGD 20,000 - 60,000
Today
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Preschool Teacher (English Language) | East

THE LITTLE SKOOL-HOUSE INTERNATIONAL PTE LTD

Singapore
On-site
SGD 30,000 - 40,000
Today
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Accounts Executive

EJ & ASSOCIATES PTE. LTD.

Singapore
On-site
SGD 60,000 - 80,000
Today
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warehouse cum delivery assistance

MODA PAOLO PTE. LTD.

Singapore
On-site
SGD 20,000 - 60,000
Today
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Nurse Manager

TUCKER MEDICAL PTE. LTD.

Singapore
On-site
SGD 70,000 - 90,000
Today
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Fitness Instructor | Up to $3.3K | Islandwide - 0310

THE SUPREME HR ADVISORY PTE. LTD.

Singapore
Hybrid
SGD 20,000 - 60,000
Today
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Underground Structural Site Engineer | Civil Construction

THE SUPREME HR ADVISORY PTE. LTD.

Singapore
On-site
SGD 60,000 - 80,000
Today
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Kitchen Assistants (Full Time, 6 day work week)

DRINK UP PTE. LTD.

Singapore
On-site
SGD 20,000 - 60,000
Today
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Clearing & Settlement Officer (Commercial Banking)

GREENLANE PRIVATE LTD.

Singapore
On-site
SGD 60,000 - 80,000
Today
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SUPPLY CHAIN MANAGER | DEMAND & SUPPLY PLANNING | HEALTHCARE ECOMMERCE

PAN & COMPANY PTE. LTD.

Singapore
On-site
SGD 80,000 - 120,000
Today
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Senior Engineer, Data Center Facilities Management (1-Net)

HYPERSCAL SOLUTIONS PTE. LTD.

Singapore
On-site
SGD 80,000 - 100,000
Today
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6723 - Lab Technician [Analytical Instruments & AAS | Training Provided]

THE SUPREME HR ADVISORY PTE. LTD.

Singapore
On-site
SGD 60,000 - 80,000
Today
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Food Chemist | Technologist [ Halal Compliance | Up to $2,800 ]

THE SUPREME HR ADVISORY PTE. LTD.

Singapore
On-site
SGD 60,000 - 80,000
Today
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Marketing Manager

AFAR TECHNOLOGY (SINGAPORE) PTE. LTD.

Singapore
On-site
SGD 90,000 - 120,000
Today
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Executive, Partnership Management

AXS Pte Ltd

Singapore
On-site
SGD 40,000 - 60,000
Today
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Senior People Operations Partner (APME)

Filigran

Singapore
On-site
SGD 90,000 - 120,000
Today
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Assistant Administrative Executive

Ley Choon Constructions and Engineering Pte Ltd

Singapore
On-site
SGD 30,000 - 45,000
Today
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Sales Coordinator

INTUIT RECRUITMENT PTE. LTD.

Singapore
On-site
SGD 60,000 - 80,000
Today
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Site Project Coordinator - Safety, Quality & Schedule

GLIDEROL DOORS (S) PTE. LTD.

Singapore
On-site
SGD 60,000 - 80,000
Today
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Remote Operations & QA Specialist

BrightArk Pte. Ltd.

Singapore
Hybrid
SGD 50,000 - 70,000
Today
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Breast Radiology Consultant Opportunity in Singapore

Head Medical

Singapore
On-site
SGD 60,000 - 80,000
Today
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F&B Assistant Manager (hinese Food / Leadership / West)

ORANGEWOODS PTE. LTD.

Singapore
On-site
SGD 20,000 - 60,000
Today
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Customer Research Associate

Airwallex

Singapore
On-site
SGD 70,000 - 90,000
Today
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Product Manager, Commercialization - Singapore

Plaud

Singapore
On-site
SGD 70,000 - 90,000
Today
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Computational Materials Scientist
ELEMYNT PTE. LTD.
Singapore
On-site
SGD 80,000 - 120,000
Full time
Today
Be an early applicant

Job summary

A materials science company in Singapore is looking for a PhD-qualified professional to apply MLIPs for predicting material properties, run simulations, and collaborate with teams on experimental validations. Ideal candidates should have experience with DFT codes and strong programming skills in Python, along with a robust understanding of synthesis prediction and database management.

Qualifications

  • PhD in Materials Science, Chemistry, Physics, or related field.
  • Demonstrated experience with MLIPs (MACE, M3GNet, NequIP).
  • Proficiency with DFT codes and MD engines.
  • Strong skills in Python and building scientific workflows.
  • Knowledge of synthesis prediction or cheminformatics.

Responsibilities

  • Apply MLIPs to predict properties of materials.
  • Run simulations using DFT codes and MD packages.
  • Implement graph neural networks for candidate optimization.
  • Collaborate with teams to validate predictions.

Skills

Machine Learning Interatomic Potentials (MLIPs)
Python
Database skills
Framework automation (Fireworks, Jobflow, etc.)

Education

PhD in Materials Science

Tools

VASP
Quantum ESPRESSO
CASTEP
LAMMPS
GROMACS
ASE
pymatgen
Job description
Responsibilities
  • Apply MLIPs (MACE, M3GNet, NequIP, GAP) to predict properties of materials
  • Run atomistic simulations using DFT codes (VASP, Quantum ESPRESSO, CASTEP, etc.) and MD packages (LAMMPS, GROMACS, etc.)
  • Implement graph neural networks and diffusion models to generate and optimize electrolyte candidates
  • Perform synthesis prediction and precursor selection, linking atomistic modeling to experimental feasibility
  • Curate and query large-scale materials and reaction databases for training and validation
  • Collaborate with experimental teams to validate predictions and feed results back into automated workflows
Requirements
  • PhD in Materials Science, Chemistry, Physics, or related field
    Demonstrated experience with MLIPs (MACE, M3GNet, NequIP, etc.)
  • Proficiency with DFT codes (VASP, QE, CASTEP, etc.) and MD engines (LAMMPS, GROMACS, etc.)
  • Experience with ASE, pymatgen or similar toolkits for job setup/automation
  • Strong skills in Python and building scientific workflows
  • Knowledge of synthesis prediction, precursor selection, or cheminformatics
  • Strong database and automation framework skills (Fireworks, Jobflow, Atomate, Airflow, Temporal)

* The salary benchmark is based on the target salaries of market leaders in their relevant sectors. It is intended to serve as a guide to help Premium Members assess open positions and to help in salary negotiations. The salary benchmark is not provided directly by the company, which could be significantly higher or lower.