Computational Materials Scientist (Xora Portfolio Company) at Alert Innovation

Singapore

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Not SpecifiedCompensation

Senior (5 to 8 years)Experience Level

Full TimeJob Type

UnknownVisa

Materials ScienceIndustries

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)

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

Skills

Key technologies and capabilities for this role

PythonMACEM3GNetNequIPGAPVASPQuantum ESPRESSOCASTEPLAMMPSGROMACSASEpymatgenFireworksJobflowAtomateAirflowTemporal

Questions & Answers

Common questions about this position

Is this position remote or hybrid?

The position is hybrid, requiring some on-site presence as remote work is not offered.

What are the key required skills for this role?

Key skills include a PhD in Materials Science, Chemistry, Physics or related field, demonstrated experience with MLIPs like MACE and M3GNet, proficiency with DFT codes such as VASP and Quantum ESPRESSO, MD engines like LAMMPS and GROMACS, strong Python skills, and knowledge of synthesis prediction or cheminformatics.

What is the salary range for this position?

This information is not specified in the job description.

What expertise areas are they seeking for this Computational Materials Scientist role?

Expertise is required in either battery materials (solid/liquid electrolytes), semiconductors, or catalysis.

What makes a strong candidate for this position?

A strong candidate will have hands-on experience combining ML interatomic potentials with atomistic simulations, proficiency in specific tools like ASE or pymatgen, and strong database/automation skills with frameworks like Fireworks or Atomate, along with the ability to collaborate with experimental teams.

Alert Innovation

Automated solutions for grocery operations

About Alert Innovation

Alert Innovation provides automated solutions for the grocery industry, focusing on their main product, the 1 e Grocery Microfulfillment ASRS. This system is designed for micro-fulfillment centers and features three temperature zones to store perishable, frozen, and ambient products, ensuring optimal conditions and reducing waste. Unlike competitors, their system is specifically tailored for grocery retailers, helping them streamline operations and improve delivery times. The company's goal is to enhance supply chain efficiency and customer satisfaction for grocery retailers.

Billerica, MassachusettsHeadquarters

2016Year Founded

$3.1MTotal Funding

ACQUISITIONCompany Stage

Robotics & Automation, Consulting, Industrial & ManufacturingIndustries

201-500Employees

Risks

Amazon's AI technology poses competitive pressure on Alert Innovation's systems.

Walmart acquisition may disrupt existing partnerships outside of Walmart.

Leadership transition to Fritz Morgan could impact company strategy and market position.

Differentiation

Alert Innovation's 1 e Grocery platform offers three automated temperature zones for optimal storage.

The company specializes in micro-fulfillment centers, enhancing grocery delivery efficiency.

Alert Innovation's Alphabot System is customized for Walmart's market fulfillment centers.

Upsides

Growing demand for micro-fulfillment centers boosts Alert Innovation's market potential.

Temperature-controlled storage solutions align with consumer demand for fresh products.

Walmart's acquisition could accelerate Alert Innovation's growth and innovation.

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